N-[4-(2-aminoethoxy)-3-pyridinyl]-2-(5,6-dimethoxy-3-oxo-1H-isoindol-2-yl)-1,3-oxazole-5-carboxamide;N-[4-[2-aminoethyl(methyl)amino]-3-pyridinyl]-2-(5,6-dimethoxy-3-oxo-1H-isoindol-2-yl)-1,3-oxazole-5-carboxamide;2-[4-(3-methoxyphenyl)-2-oxopyrrolidin-1-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-oxazole-5-carboxamide;2-[3-(3-methoxyphenyl)pyrrolidin-1-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-oxazole-5-carboxamide;2-(4-phenylpiperidin-1-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-oxazole-5-carboxamide

C115H127N29O20 — CID 158801403

IUPACN-[4-(2-aminoethoxy)-3-pyridinyl]-2-(5,6-dimethoxy-3-oxo-1H-isoindol-2-yl)-1,3-oxazole-5-carboxamide;N-[4-[2-aminoethyl(methyl)amino]-3-pyridinyl]-2-(5,6-dimethoxy-3-oxo-1H-isoindol-2-yl)-1,3-oxazole-5-carboxamide;2-[4-(3-methoxyphenyl)-2-oxopyrrolidin-1-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-oxazole-5-carboxamide;2-[3-(3-methoxyphenyl)pyrrolidin-1-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-oxazole-5-carboxamide;2-(4-phenylpiperidin-1-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-oxazole-5-carboxamide
SMILESCOc1cc2c(cc1OC)C(=O)N(c1ncc(C(=O)Nc3cnccc3N(C)CCN)o1)C2.COc1cc2c(cc1OC)C(=O)N(c1ncc(C(=O)Nc3cnccc3OCCN)o1)C2.COc1cccc(C2CC(=O)N(c3ncc(C(=O)Nc4cnccc4N4CCNCC4)o3)C2)c1.COc1cccc(C2CCN(c3ncc(C(=O)Nc4cnccc4N4CCNCC4)o3)C2)c1.O=C(Nc1cnccc1N1CCNCC1)c1cnc(N2CCC(c3ccccc3)CC2)o1
InChIInChI=1S/C24H26N6O4.C24H28N6O3.C24H28N6O2.C22H24N6O5.C21H21N5O6/c1-33-18-4-2-3-16(11-18)17-12-22(31)30(15-17)24-27-14-21(34-24)23(32)28-19-13-26-6-5-20(19)29-9-7-25-8-10-29;1-32-19-4-2-3-17(13-19)18-6-10-30(16-18)24-27-15-22(33-24)23(31)28-20-14-26-7-5-21(20)29-11-8-25-9-12-29;31-23(28-20-16-26-9-6-21(20)29-14-10-25-11-15-29)22-17-27-24(32-22)30-12-7-19(8-13-30)18-4-2-1-3-5-18;1-27(7-5-23)16-4-6-24-10-15(16)26-20(29)19-11-25-22(33-19)28-12-13-8-17(31-2)18(32-3)9-14(13)21(28)30;1-29-16-7-12-11-26(20(28)13(12)8-17(16)30-2)21-24-10-18(32-21)19(27)25-14-9-23-5-3-15(14)31-6-4-22/h2-6,11,13-14,17,25H,7-10,12,15H2,1H3,(H,28,32);2-5,7,13-15,18,25H,6,8-12,16H2,1H3,(H,28,31);1-6,9,16-17,19,25H,7-8,10-15H2,(H,28,31);4,6,8-11H,5,7,12,23H2,1-3H3,(H,26,29);3,5,7-10H,4,6,11,22H2,1-2H3,(H,25,27)
InChIKeyITNLZHCZFJXPLK-UHFFFAOYSA-N
MW2235.46 g/mol
LogP11.84
Rot. Bonds33

About N-[4-(2-aminoethoxy)-3-pyridinyl]-2-(5,6-dimethoxy-3-oxo-1H-isoindol-2-yl)-1,3-oxazole-5-carboxamide;N-[4-[2-aminoethyl(methyl)amino]-3-pyridinyl]-2-(5,6-dimethoxy-3-oxo-1H-isoindol-2-yl)-1,3-oxazole-5-carboxamide;2-[4-(3-methoxyphenyl)-2-oxopyrrolidin-1-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-oxazole-5-carboxamide;2-[3-(3-methoxyphenyl)pyrrolidin-1-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-oxazole-5-carboxamide;2-(4-phenylpiperidin-1-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-oxazole-5-carboxamide

N-[4-(2-aminoethoxy)-3-pyridinyl]-2-(5,6-dimethoxy-3-oxo-1H-isoindol-2-yl)-1,3-oxazole-5-carboxamide;N-[4-[2-aminoethyl(methyl)amino]-3-pyridinyl]-2-(5,6-dimethoxy-3-oxo-1H-isoindol-2-yl)-1,3-oxazole-5-carboxamide;2-[4-(3-methoxyphenyl)-2-oxopyrrolidin-1-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-oxazole-5-carboxamide;2-[3-(3-methoxyphenyl)pyrrolidin-1-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-oxazole-5-carboxamide;2-(4-phenylpiperidin-1-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-oxazole-5-carboxamide (PubChem CID 158801403) has the molecular formula C115H127N29O20 and a molecular weight of 2235.46 g/mol. Its IUPAC name is N-[4-(2-aminoethoxy)-3-pyridinyl]-2-(5,6-dimethoxy-3-oxo-1H-isoindol-2-yl)-1,3-oxazole-5-carboxamide;N-[4-[2-aminoethyl(methyl)amino]-3-pyridinyl]-2-(5,6-dimethoxy-3-oxo-1H-isoindol-2-yl)-1,3-oxazole-5-carboxamide;2-[4-(3-methoxyphenyl)-2-oxopyrrolidin-1-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-oxazole-5-carboxamide;2-[3-(3-methoxyphenyl)pyrrolidin-1-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-oxazole-5-carboxamide;2-(4-phenylpiperidin-1-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-[4-(2-aminoethoxy)-3-pyridinyl]-2-(5,6-dimethoxy-3-oxo-1H-isoindol-2-yl)-1,3-oxazole-5-carboxamide;N-[4-[2-aminoethyl(methyl)amino]-3-pyridinyl]-2-(5,6-dimethoxy-3-oxo-1H-isoindol-2-yl)-1,3-oxazole-5-carboxamide;2-[4-(3-methoxyphenyl)-2-oxopyrrolidin-1-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-oxazole-5-carboxamide;2-[3-(3-methoxyphenyl)pyrrolidin-1-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-oxazole-5-carboxamide;2-(4-phenylpiperidin-1-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-oxazole-5-carboxamide
PubChem CID158801403
Molecular FormulaC115H127N29O20
Molecular Weight2235.46 g/mol
Exact Mass2233.98
IUPAC NameN-[4-(2-aminoethoxy)-3-pyridinyl]-2-(5,6-dimethoxy-3-oxo-1H-isoindol-2-yl)-1,3-oxazole-5-carboxamide;N-[4-[2-aminoethyl(methyl)amino]-3-pyridinyl]-2-(5,6-dimethoxy-3-oxo-1H-isoindol-2-yl)-1,3-oxazole-5-carboxamide;2-[4-(3-methoxyphenyl)-2-oxopyrrolidin-1-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-oxazole-5-carboxamide;2-[3-(3-methoxyphenyl)pyrrolidin-1-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-oxazole-5-carboxamide;2-(4-phenylpiperidin-1-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-oxazole-5-carboxamide
SMILESCOc1cc2c(cc1OC)C(=O)N(c1ncc(C(=O)Nc3cnccc3N(C)CCN)o1)C2.COc1cc2c(cc1OC)C(=O)N(c1ncc(C(=O)Nc3cnccc3OCCN)o1)C2.COc1cccc(C2CC(=O)N(c3ncc(C(=O)Nc4cnccc4N4CCNCC4)o3)C2)c1.COc1cccc(C2CCN(c3ncc(C(=O)Nc4cnccc4N4CCNCC4)o3)C2)c1.O=C(Nc1cnccc1N1CCNCC1)c1cnc(N2CCC(c3ccccc3)CC2)o1
InChIInChI=1S/C24H26N6O4.C24H28N6O3.C24H28N6O2.C22H24N6O5.C21H21N5O6/c1-33-18-4-2-3-16(11-18)17-12-22(31)30(15-17)24-27-14-21(34-24)23(32)28-19-13-26-6-5-20(19)29-9-7-25-8-10-29;1-32-19-4-2-3-17(13-19)18-6-10-30(16-18)24-27-15-22(33-24)23(31)28-20-14-26-7-5-21(20)29-11-8-25-9-12-29;31-23(28-20-16-26-9-6-21(20)29-14-10-25-11-15-29)22-17-27-24(32-22)30-12-7-19(8-13-30)18-4-2-1-3-5-18;1-27(7-5-23)16-4-6-24-10-15(16)26-20(29)19-11-25-22(33-19)28-12-13-8-17(31-2)18(32-3)9-14(13)21(28)30;1-29-16-7-12-11-26(20(28)13(12)8-17(16)30-2)21-24-10-18(32-21)19(27)25-14-9-23-5-3-15(14)31-6-4-22/h2-6,11,13-14,17,25H,7-10,12,15H2,1H3,(H,28,32);2-5,7,13-15,18,25H,6,8-12,16H2,1H3,(H,28,31);1-6,9,16-17,19,25H,7-8,10-15H2,(H,28,31);4,6,8-11H,5,7,12,23H2,1-3H3,(H,26,29);3,5,7-10H,4,6,11,22H2,1-2H3,(H,25,27)
InChIKeyITNLZHCZFJXPLK-UHFFFAOYSA-N
XLogP11.84
TPSA573.21 Ų
H-Bond Donors10
H-Bond Acceptors41
Rotatable Bonds33
Heavy Atoms164
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002235.46
LogP ≤ 511.84
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1041

Analyze N-[4-(2-aminoethoxy)-3-pyridinyl]-2-(5,6-dimethoxy-3-oxo-1H-isoindol-2-yl)-1,3-oxazole-5-carboxamide;N-[4-[2-aminoethyl(methyl)amino]-3-pyridinyl]-2-(5,6-dimethoxy-3-oxo-1H-isoindol-2-yl)-1,3-oxazole-5-carboxamide;2-[4-(3-methoxyphenyl)-2-oxopyrrolidin-1-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-oxazole-5-carboxamide;2-[3-(3-methoxyphenyl)pyrrolidin-1-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-oxazole-5-carboxamide;2-(4-phenylpiperidin-1-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-oxazole-5-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[4-(2-aminoethoxy)-3-pyridinyl]-2-(5,6-dimethoxy-3-oxo-1H-isoindol-2-yl)-1,3-oxazole-5-carboxamide;N-[4-[2-aminoethyl(methyl)amino]-3-pyridinyl]-2-(5,6-dimethoxy-3-oxo-1H-isoindol-2-yl)-1,3-oxazole-5-carboxamide;2-[4-(3-methoxyphenyl)-2-oxopyrrolidin-1-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-oxazole-5-carboxamide;2-[3-(3-methoxyphenyl)pyrrolidin-1-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-oxazole-5-carboxamide;2-(4-phenylpiperidin-1-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-oxazole-5-carboxamide?
The IUPAC name of N-[4-(2-aminoethoxy)-3-pyridinyl]-2-(5,6-dimethoxy-3-oxo-1H-isoindol-2-yl)-1,3-oxazole-5-carboxamide;N-[4-[2-aminoethyl(methyl)amino]-3-pyridinyl]-2-(5,6-dimethoxy-3-oxo-1H-isoindol-2-yl)-1,3-oxazole-5-carboxamide;2-[4-(3-methoxyphenyl)-2-oxopyrrolidin-1-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-oxazole-5-carboxamide;2-[3-(3-methoxyphenyl)pyrrolidin-1-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-oxazole-5-carboxamide;2-(4-phenylpiperidin-1-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-oxazole-5-carboxamide (CID 158801403) is N-[4-(2-aminoethoxy)-3-pyridinyl]-2-(5,6-dimethoxy-3-oxo-1H-isoindol-2-yl)-1,3-oxazole-5-carboxamide;N-[4-[2-aminoethyl(methyl)amino]-3-pyridinyl]-2-(5,6-dimethoxy-3-oxo-1H-isoindol-2-yl)-1,3-oxazole-5-carboxamide;2-[4-(3-methoxyphenyl)-2-oxopyrrolidin-1-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-oxazole-5-carboxamide;2-[3-(3-methoxyphenyl)pyrrolidin-1-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-oxazole-5-carboxamide;2-(4-phenylpiperidin-1-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-oxazole-5-carboxamide.
What is the SMILES notation for N-[4-(2-aminoethoxy)-3-pyridinyl]-2-(5,6-dimethoxy-3-oxo-1H-isoindol-2-yl)-1,3-oxazole-5-carboxamide;N-[4-[2-aminoethyl(methyl)amino]-3-pyridinyl]-2-(5,6-dimethoxy-3-oxo-1H-isoindol-2-yl)-1,3-oxazole-5-carboxamide;2-[4-(3-methoxyphenyl)-2-oxopyrrolidin-1-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-oxazole-5-carboxamide;2-[3-(3-methoxyphenyl)pyrrolidin-1-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-oxazole-5-carboxamide;2-(4-phenylpiperidin-1-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-oxazole-5-carboxamide?
The canonical SMILES for N-[4-(2-aminoethoxy)-3-pyridinyl]-2-(5,6-dimethoxy-3-oxo-1H-isoindol-2-yl)-1,3-oxazole-5-carboxamide;N-[4-[2-aminoethyl(methyl)amino]-3-pyridinyl]-2-(5,6-dimethoxy-3-oxo-1H-isoindol-2-yl)-1,3-oxazole-5-carboxamide;2-[4-(3-methoxyphenyl)-2-oxopyrrolidin-1-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-oxazole-5-carboxamide;2-[3-(3-methoxyphenyl)pyrrolidin-1-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-oxazole-5-carboxamide;2-(4-phenylpiperidin-1-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-oxazole-5-carboxamide is COc1cc2c(cc1OC)C(=O)N(c1ncc(C(=O)Nc3cnccc3N(C)CCN)o1)C2.COc1cc2c(cc1OC)C(=O)N(c1ncc(C(=O)Nc3cnccc3OCCN)o1)C2.COc1cccc(C2CC(=O)N(c3ncc(C(=O)Nc4cnccc4N4CCNCC4)o3)C2)c1.COc1cccc(C2CCN(c3ncc(C(=O)Nc4cnccc4N4CCNCC4)o3)C2)c1.O=C(Nc1cnccc1N1CCNCC1)c1cnc(N2CCC(c3ccccc3)CC2)o1.
What is the InChIKey of N-[4-(2-aminoethoxy)-3-pyridinyl]-2-(5,6-dimethoxy-3-oxo-1H-isoindol-2-yl)-1,3-oxazole-5-carboxamide;N-[4-[2-aminoethyl(methyl)amino]-3-pyridinyl]-2-(5,6-dimethoxy-3-oxo-1H-isoindol-2-yl)-1,3-oxazole-5-carboxamide;2-[4-(3-methoxyphenyl)-2-oxopyrrolidin-1-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-oxazole-5-carboxamide;2-[3-(3-methoxyphenyl)pyrrolidin-1-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-oxazole-5-carboxamide;2-(4-phenylpiperidin-1-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-oxazole-5-carboxamide?
The InChIKey is ITNLZHCZFJXPLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N6O4.C24H28N6O3.C24H28N6O2.C22H24N6O5.C21H21N5O6/c1-33-18-4-2-3-16(11-18)17-12-22(31)30(15-17)24-27-14-21(34-24)23(32)28-19-13-26-6-5-20(19)29-9-7-25-8-10-29;1-32-19-4-2-3-17(13-19)18-6-10-30(16-18)24-27-15-22(33-24)23(31)28-20-14-26-7-5-21(20)29-11-8-25-9-12-29;31-23(28-20-16-26-9-6-21(20)29-14-10-25-11-15-29)22-17-27-24(32-22)30-12-7-19(8-13-30)18-4-2-1-3-5-18;1-27(7-5-23)16-4-6-24-10-15(16)26-20(29)19-11-25-22(33-19)28-12-13-8-17(31-2)18(32-3)9-14(13)21(28)30;1-29-16-7-12-11-26(20(28)13(12)8-17(16)30-2)21-24-10-18(32-21)19(27)25-14-9-23-5-3-15(14)31-6-4-22/h2-6,11,13-14,17,25H,7-10,12,15H2,1H3,(H,28,32);2-5,7,13-15,18,25H,6,8-12,16H2,1H3,(H,28,31);1-6,9,16-17,19,25H,7-8,10-15H2,(H,28,31);4,6,8-11H,5,7,12,23H2,1-3H3,(H,26,29);3,5,7-10H,4,6,11,22H2,1-2H3,(H,25,27).
What are the key properties of N-[4-(2-aminoethoxy)-3-pyridinyl]-2-(5,6-dimethoxy-3-oxo-1H-isoindol-2-yl)-1,3-oxazole-5-carboxamide;N-[4-[2-aminoethyl(methyl)amino]-3-pyridinyl]-2-(5,6-dimethoxy-3-oxo-1H-isoindol-2-yl)-1,3-oxazole-5-carboxamide;2-[4-(3-methoxyphenyl)-2-oxopyrrolidin-1-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-oxazole-5-carboxamide;2-[3-(3-methoxyphenyl)pyrrolidin-1-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-oxazole-5-carboxamide;2-(4-phenylpiperidin-1-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-oxazole-5-carboxamide?
N-[4-(2-aminoethoxy)-3-pyridinyl]-2-(5,6-dimethoxy-3-oxo-1H-isoindol-2-yl)-1,3-oxazole-5-carboxamide;N-[4-[2-aminoethyl(methyl)amino]-3-pyridinyl]-2-(5,6-dimethoxy-3-oxo-1H-isoindol-2-yl)-1,3-oxazole-5-carboxamide;2-[4-(3-methoxyphenyl)-2-oxopyrrolidin-1-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-oxazole-5-carboxamide;2-[3-(3-methoxyphenyl)pyrrolidin-1-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-oxazole-5-carboxamide;2-(4-phenylpiperidin-1-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-oxazole-5-carboxamide has a molecular weight of 2235.46 g/mol, XLogP of 11.84, 33 rotatable bonds, 10 hydrogen bond donors, and 41 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-aminoethoxy)-3-pyridinyl]-2-(5,6-dimethoxy-3-oxo-1H-isoindol-2-yl)-1,3-oxazole-5-carboxamide;N-[4-[2-aminoethyl(methyl)amino]-3-pyridinyl]-2-(5,6-dimethoxy-3-oxo-1H-isoindol-2-yl)-1,3-oxazole-5-carboxamide;2-[4-(3-methoxyphenyl)-2-oxopyrrolidin-1-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-oxazole-5-carboxamide;2-[3-(3-methoxyphenyl)pyrrolidin-1-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-oxazole-5-carboxamide;2-(4-phenylpiperidin-1-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-oxazole-5-carboxamide is sourced from PubChem (CID 158801403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).