N-[1-[1-[(2S)-2-aminopropanoyl]piperidin-4-yl]-2-methoxyethyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide;N-[1-[1-[(2S)-2-aminopropanoyl]piperidin-4-yl]-2-phenoxyethyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide;N-[cyclohexyl-[3-(pyridin-3-ylmethylcarbamoyl)phenyl]methyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide;N-[cyclohexyl-[3-(3-pyrrolidin-1-ylpropylcarbamoyl)phenyl]methyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide

C96H126N16O14 — CID 158728251

IUPACN-[1-[1-[(2S)-2-aminopropanoyl]piperidin-4-yl]-2-methoxyethyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide;N-[1-[1-[(2S)-2-aminopropanoyl]piperidin-4-yl]-2-phenoxyethyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide;N-[cyclohexyl-[3-(pyridin-3-ylmethylcarbamoyl)phenyl]methyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide;N-[cyclohexyl-[3-(3-pyrrolidin-1-ylpropylcarbamoyl)phenyl]methyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide
SMILESCOCC(NC(=O)c1cc(C2CC2)on1)C1CCN(C(=O)[C@H](C)N)CC1.C[C@H](N)C(=O)N1CCC(C(COc2ccccc2)NC(=O)c2cc(C3CC3)on2)CC1.O=C(NCCCN1CCCC1)c1cccc(C(NC(=O)c2cc(C3CC3)on2)C2CCCCC2)c1.O=C(NCc1cccnc1)c1cccc(C(NC(=O)c2cc(C3CC3)on2)C2CCCCC2)c1
InChIInChI=1S/C28H38N4O3.C27H30N4O3.C23H30N4O4.C18H28N4O4/c33-27(29-14-7-17-32-15-4-5-16-32)23-11-6-10-22(18-23)26(21-8-2-1-3-9-21)30-28(34)24-19-25(35-31-24)20-12-13-20;32-26(29-17-18-6-5-13-28-16-18)22-10-4-9-21(14-22)25(20-7-2-1-3-8-20)30-27(33)23-15-24(34-31-23)19-11-12-19;1-15(24)23(29)27-11-9-16(10-12-27)20(14-30-18-5-3-2-4-6-18)25-22(28)19-13-21(31-26-19)17-7-8-17;1-11(19)18(24)22-7-5-12(6-8-22)15(10-25-2)20-17(23)14-9-16(26-21-14)13-3-4-13/h6,10-11,18-21,26H,1-5,7-9,12-17H2,(H,29,33)(H,30,34);4-6,9-10,13-16,19-20,25H,1-3,7-8,11-12,17H2,(H,29,32)(H,30,33);2-6,13,15-17,20H,7-12,14,24H2,1H3,(H,25,28);9,11-13,15H,3-8,10,19H2,1-2H3,(H,20,23)/t;;15-,20?;11-,15?/m..00/s1
InChIKeyIKTWNUVGAKCQHT-BSPRKIHWSA-N
MW1728.16 g/mol
LogP12.95
Rot. Bonds33

About N-[1-[1-[(2S)-2-aminopropanoyl]piperidin-4-yl]-2-methoxyethyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide;N-[1-[1-[(2S)-2-aminopropanoyl]piperidin-4-yl]-2-phenoxyethyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide;N-[cyclohexyl-[3-(pyridin-3-ylmethylcarbamoyl)phenyl]methyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide;N-[cyclohexyl-[3-(3-pyrrolidin-1-ylpropylcarbamoyl)phenyl]methyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide

N-[1-[1-[(2S)-2-aminopropanoyl]piperidin-4-yl]-2-methoxyethyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide;N-[1-[1-[(2S)-2-aminopropanoyl]piperidin-4-yl]-2-phenoxyethyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide;N-[cyclohexyl-[3-(pyridin-3-ylmethylcarbamoyl)phenyl]methyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide;N-[cyclohexyl-[3-(3-pyrrolidin-1-ylpropylcarbamoyl)phenyl]methyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide (PubChem CID 158728251) has the molecular formula C96H126N16O14 and a molecular weight of 1728.16 g/mol. Its IUPAC name is N-[1-[1-[(2S)-2-aminopropanoyl]piperidin-4-yl]-2-methoxyethyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide;N-[1-[1-[(2S)-2-aminopropanoyl]piperidin-4-yl]-2-phenoxyethyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide;N-[cyclohexyl-[3-(pyridin-3-ylmethylcarbamoyl)phenyl]methyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide;N-[cyclohexyl-[3-(3-pyrrolidin-1-ylpropylcarbamoyl)phenyl]methyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[1-[1-[(2S)-2-aminopropanoyl]piperidin-4-yl]-2-methoxyethyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide;N-[1-[1-[(2S)-2-aminopropanoyl]piperidin-4-yl]-2-phenoxyethyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide;N-[cyclohexyl-[3-(pyridin-3-ylmethylcarbamoyl)phenyl]methyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide;N-[cyclohexyl-[3-(3-pyrrolidin-1-ylpropylcarbamoyl)phenyl]methyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide
PubChem CID158728251
Molecular FormulaC96H126N16O14
Molecular Weight1728.16 g/mol
Exact Mass1726.96
IUPAC NameN-[1-[1-[(2S)-2-aminopropanoyl]piperidin-4-yl]-2-methoxyethyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide;N-[1-[1-[(2S)-2-aminopropanoyl]piperidin-4-yl]-2-phenoxyethyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide;N-[cyclohexyl-[3-(pyridin-3-ylmethylcarbamoyl)phenyl]methyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide;N-[cyclohexyl-[3-(3-pyrrolidin-1-ylpropylcarbamoyl)phenyl]methyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide
SMILESCOCC(NC(=O)c1cc(C2CC2)on1)C1CCN(C(=O)[C@H](C)N)CC1.C[C@H](N)C(=O)N1CCC(C(COc2ccccc2)NC(=O)c2cc(C3CC3)on2)CC1.O=C(NCCCN1CCCC1)c1cccc(C(NC(=O)c2cc(C3CC3)on2)C2CCCCC2)c1.O=C(NCc1cccnc1)c1cccc(C(NC(=O)c2cc(C3CC3)on2)C2CCCCC2)c1
InChIInChI=1S/C28H38N4O3.C27H30N4O3.C23H30N4O4.C18H28N4O4/c33-27(29-14-7-17-32-15-4-5-16-32)23-11-6-10-22(18-23)26(21-8-2-1-3-9-21)30-28(34)24-19-25(35-31-24)20-12-13-20;32-26(29-17-18-6-5-13-28-16-18)22-10-4-9-21(14-22)25(20-7-2-1-3-8-20)30-27(33)23-15-24(34-31-23)19-11-12-19;1-15(24)23(29)27-11-9-16(10-12-27)20(14-30-18-5-3-2-4-6-18)25-22(28)19-13-21(31-26-19)17-7-8-17;1-11(19)18(24)22-7-5-12(6-8-22)15(10-25-2)20-17(23)14-9-16(26-21-14)13-3-4-13/h6,10-11,18-21,26H,1-5,7-9,12-17H2,(H,29,33)(H,30,34);4-6,9-10,13-16,19-20,25H,1-3,7-8,11-12,17H2,(H,29,32)(H,30,33);2-6,13,15-17,20H,7-12,14,24H2,1H3,(H,25,28);9,11-13,15H,3-8,10,19H2,1-2H3,(H,20,23)/t;;15-,20?;11-,15?/m..00/s1
InChIKeyIKTWNUVGAKCQHT-BSPRKIHWSA-N
XLogP12.95
TPSA405.97 Ų
H-Bond Donors8
H-Bond Acceptors22
Rotatable Bonds33
Heavy Atoms126
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001728.16
LogP ≤ 512.95
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1022

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[1-[1-[(2S)-2-aminopropanoyl]piperidin-4-yl]-2-methoxyethyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide;N-[1-[1-[(2S)-2-aminopropanoyl]piperidin-4-yl]-2-phenoxyethyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide;N-[cyclohexyl-[3-(pyridin-3-ylmethylcarbamoyl)phenyl]methyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide;N-[cyclohexyl-[3-(3-pyrrolidin-1-ylpropylcarbamoyl)phenyl]methyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[1-[1-[(2S)-2-aminopropanoyl]piperidin-4-yl]-2-methoxyethyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide;N-[1-[1-[(2S)-2-aminopropanoyl]piperidin-4-yl]-2-phenoxyethyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide;N-[cyclohexyl-[3-(pyridin-3-ylmethylcarbamoyl)phenyl]methyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide;N-[cyclohexyl-[3-(3-pyrrolidin-1-ylpropylcarbamoyl)phenyl]methyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide?
The IUPAC name of N-[1-[1-[(2S)-2-aminopropanoyl]piperidin-4-yl]-2-methoxyethyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide;N-[1-[1-[(2S)-2-aminopropanoyl]piperidin-4-yl]-2-phenoxyethyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide;N-[cyclohexyl-[3-(pyridin-3-ylmethylcarbamoyl)phenyl]methyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide;N-[cyclohexyl-[3-(3-pyrrolidin-1-ylpropylcarbamoyl)phenyl]methyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide (CID 158728251) is N-[1-[1-[(2S)-2-aminopropanoyl]piperidin-4-yl]-2-methoxyethyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide;N-[1-[1-[(2S)-2-aminopropanoyl]piperidin-4-yl]-2-phenoxyethyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide;N-[cyclohexyl-[3-(pyridin-3-ylmethylcarbamoyl)phenyl]methyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide;N-[cyclohexyl-[3-(3-pyrrolidin-1-ylpropylcarbamoyl)phenyl]methyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-[1-[1-[(2S)-2-aminopropanoyl]piperidin-4-yl]-2-methoxyethyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide;N-[1-[1-[(2S)-2-aminopropanoyl]piperidin-4-yl]-2-phenoxyethyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide;N-[cyclohexyl-[3-(pyridin-3-ylmethylcarbamoyl)phenyl]methyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide;N-[cyclohexyl-[3-(3-pyrrolidin-1-ylpropylcarbamoyl)phenyl]methyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[1-[1-[(2S)-2-aminopropanoyl]piperidin-4-yl]-2-methoxyethyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide;N-[1-[1-[(2S)-2-aminopropanoyl]piperidin-4-yl]-2-phenoxyethyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide;N-[cyclohexyl-[3-(pyridin-3-ylmethylcarbamoyl)phenyl]methyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide;N-[cyclohexyl-[3-(3-pyrrolidin-1-ylpropylcarbamoyl)phenyl]methyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide is COCC(NC(=O)c1cc(C2CC2)on1)C1CCN(C(=O)[C@H](C)N)CC1.C[C@H](N)C(=O)N1CCC(C(COc2ccccc2)NC(=O)c2cc(C3CC3)on2)CC1.O=C(NCCCN1CCCC1)c1cccc(C(NC(=O)c2cc(C3CC3)on2)C2CCCCC2)c1.O=C(NCc1cccnc1)c1cccc(C(NC(=O)c2cc(C3CC3)on2)C2CCCCC2)c1.
What is the InChIKey of N-[1-[1-[(2S)-2-aminopropanoyl]piperidin-4-yl]-2-methoxyethyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide;N-[1-[1-[(2S)-2-aminopropanoyl]piperidin-4-yl]-2-phenoxyethyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide;N-[cyclohexyl-[3-(pyridin-3-ylmethylcarbamoyl)phenyl]methyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide;N-[cyclohexyl-[3-(3-pyrrolidin-1-ylpropylcarbamoyl)phenyl]methyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide?
The InChIKey is IKTWNUVGAKCQHT-BSPRKIHWSA-N. The full InChI is InChI=1S/C28H38N4O3.C27H30N4O3.C23H30N4O4.C18H28N4O4/c33-27(29-14-7-17-32-15-4-5-16-32)23-11-6-10-22(18-23)26(21-8-2-1-3-9-21)30-28(34)24-19-25(35-31-24)20-12-13-20;32-26(29-17-18-6-5-13-28-16-18)22-10-4-9-21(14-22)25(20-7-2-1-3-8-20)30-27(33)23-15-24(34-31-23)19-11-12-19;1-15(24)23(29)27-11-9-16(10-12-27)20(14-30-18-5-3-2-4-6-18)25-22(28)19-13-21(31-26-19)17-7-8-17;1-11(19)18(24)22-7-5-12(6-8-22)15(10-25-2)20-17(23)14-9-16(26-21-14)13-3-4-13/h6,10-11,18-21,26H,1-5,7-9,12-17H2,(H,29,33)(H,30,34);4-6,9-10,13-16,19-20,25H,1-3,7-8,11-12,17H2,(H,29,32)(H,30,33);2-6,13,15-17,20H,7-12,14,24H2,1H3,(H,25,28);9,11-13,15H,3-8,10,19H2,1-2H3,(H,20,23)/t;;15-,20?;11-,15?/m..00/s1.
What are the key properties of N-[1-[1-[(2S)-2-aminopropanoyl]piperidin-4-yl]-2-methoxyethyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide;N-[1-[1-[(2S)-2-aminopropanoyl]piperidin-4-yl]-2-phenoxyethyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide;N-[cyclohexyl-[3-(pyridin-3-ylmethylcarbamoyl)phenyl]methyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide;N-[cyclohexyl-[3-(3-pyrrolidin-1-ylpropylcarbamoyl)phenyl]methyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide?
N-[1-[1-[(2S)-2-aminopropanoyl]piperidin-4-yl]-2-methoxyethyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide;N-[1-[1-[(2S)-2-aminopropanoyl]piperidin-4-yl]-2-phenoxyethyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide;N-[cyclohexyl-[3-(pyridin-3-ylmethylcarbamoyl)phenyl]methyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide;N-[cyclohexyl-[3-(3-pyrrolidin-1-ylpropylcarbamoyl)phenyl]methyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide has a molecular weight of 1728.16 g/mol, XLogP of 12.95, 33 rotatable bonds, 8 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[1-[(2S)-2-aminopropanoyl]piperidin-4-yl]-2-methoxyethyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide;N-[1-[1-[(2S)-2-aminopropanoyl]piperidin-4-yl]-2-phenoxyethyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide;N-[cyclohexyl-[3-(pyridin-3-ylmethylcarbamoyl)phenyl]methyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide;N-[cyclohexyl-[3-(3-pyrrolidin-1-ylpropylcarbamoyl)phenyl]methyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 158728251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).