2-[2-(1,3-benzoxazol-2-yl)phenyl]-1-(3,4,5-trimethoxyphenyl)ethanone;3-(dimethylamino)-N-[2-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]benzamide;N-[2-[3-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]imidazo[2,1-b][1,3]thiazol-6-yl]phenyl]naphthalene-2-carboxamide;4-methyl-N-[2-[3-(morpholin-4-ylmethyl)imidazo[2,1-b][1,3]thiazol-6-yl]phenyl]-2-pyridin-3-yl-1,3-thiazole-5-carboxamide

C98H87N15O11S3 — CID 159144952

IUPAC2-[2-(1,3-benzoxazol-2-yl)phenyl]-1-(3,4,5-trimethoxyphenyl)ethanone;3-(dimethylamino)-N-[2-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]benzamide;N-[2-[3-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]imidazo[2,1-b][1,3]thiazol-6-yl]phenyl]naphthalene-2-carboxamide;4-methyl-N-[2-[3-(morpholin-4-ylmethyl)imidazo[2,1-b][1,3]thiazol-6-yl]phenyl]-2-pyridin-3-yl-1,3-thiazole-5-carboxamide
SMILESCN(C)c1cccc(C(=O)Nc2ccccc2-c2nc3ncccc3o2)c1.COc1cc(C(=O)Cc2ccccc2-c2nc3ccccc3o2)cc(OC)c1OC.Cc1nc(-c2cccnc2)sc1C(=O)Nc1ccccc1-c1cn2c(CN3CCOCC3)csc2n1.O=C(Nc1ccccc1-c1cn2c(CN3CC[C@@H](O)C3)csc2n1)c1ccc2ccccc2c1
InChIInChI=1S/C27H24N4O2S.C26H24N6O2S2.C24H21NO5.C21H18N4O2/c32-22-11-12-30(15-22)14-21-17-34-27-29-25(16-31(21)27)23-7-3-4-8-24(23)28-26(33)20-10-9-18-5-1-2-6-19(18)13-20;1-17-23(36-25(28-17)18-5-4-8-27-13-18)24(33)29-21-7-3-2-6-20(21)22-15-32-19(16-35-26(32)30-22)14-31-9-11-34-12-10-31;1-27-21-13-16(14-22(28-2)23(21)29-3)19(26)12-15-8-4-5-9-17(15)24-25-18-10-6-7-11-20(18)30-24;1-25(2)15-8-5-7-14(13-15)20(26)23-17-10-4-3-9-16(17)21-24-19-18(27-21)11-6-12-22-19/h1-10,13,16-17,22,32H,11-12,14-15H2,(H,28,33);2-8,13,15-16H,9-12,14H2,1H3,(H,29,33);4-11,13-14H,12H2,1-3H3;3-13H,1-2H3,(H,23,26)/t22-;;;/m1.../s1
InChIKeyKIOGTRJHVQAWSR-YJZWPAEXSA-N
MW1747.07 g/mol
LogP19.16
Rot. Bonds22

About 2-[2-(1,3-benzoxazol-2-yl)phenyl]-1-(3,4,5-trimethoxyphenyl)ethanone;3-(dimethylamino)-N-[2-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]benzamide;N-[2-[3-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]imidazo[2,1-b][1,3]thiazol-6-yl]phenyl]naphthalene-2-carboxamide;4-methyl-N-[2-[3-(morpholin-4-ylmethyl)imidazo[2,1-b][1,3]thiazol-6-yl]phenyl]-2-pyridin-3-yl-1,3-thiazole-5-carboxamide

2-[2-(1,3-benzoxazol-2-yl)phenyl]-1-(3,4,5-trimethoxyphenyl)ethanone;3-(dimethylamino)-N-[2-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]benzamide;N-[2-[3-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]imidazo[2,1-b][1,3]thiazol-6-yl]phenyl]naphthalene-2-carboxamide;4-methyl-N-[2-[3-(morpholin-4-ylmethyl)imidazo[2,1-b][1,3]thiazol-6-yl]phenyl]-2-pyridin-3-yl-1,3-thiazole-5-carboxamide (PubChem CID 159144952) has the molecular formula C98H87N15O11S3 and a molecular weight of 1747.07 g/mol. Its IUPAC name is 2-[2-(1,3-benzoxazol-2-yl)phenyl]-1-(3,4,5-trimethoxyphenyl)ethanone;3-(dimethylamino)-N-[2-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]benzamide;N-[2-[3-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]imidazo[2,1-b][1,3]thiazol-6-yl]phenyl]naphthalene-2-carboxamide;4-methyl-N-[2-[3-(morpholin-4-ylmethyl)imidazo[2,1-b][1,3]thiazol-6-yl]phenyl]-2-pyridin-3-yl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-[2-(1,3-benzoxazol-2-yl)phenyl]-1-(3,4,5-trimethoxyphenyl)ethanone;3-(dimethylamino)-N-[2-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]benzamide;N-[2-[3-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]imidazo[2,1-b][1,3]thiazol-6-yl]phenyl]naphthalene-2-carboxamide;4-methyl-N-[2-[3-(morpholin-4-ylmethyl)imidazo[2,1-b][1,3]thiazol-6-yl]phenyl]-2-pyridin-3-yl-1,3-thiazole-5-carboxamide
PubChem CID159144952
Molecular FormulaC98H87N15O11S3
Molecular Weight1747.07 g/mol
Exact Mass1745.59
IUPAC Name2-[2-(1,3-benzoxazol-2-yl)phenyl]-1-(3,4,5-trimethoxyphenyl)ethanone;3-(dimethylamino)-N-[2-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]benzamide;N-[2-[3-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]imidazo[2,1-b][1,3]thiazol-6-yl]phenyl]naphthalene-2-carboxamide;4-methyl-N-[2-[3-(morpholin-4-ylmethyl)imidazo[2,1-b][1,3]thiazol-6-yl]phenyl]-2-pyridin-3-yl-1,3-thiazole-5-carboxamide
SMILESCN(C)c1cccc(C(=O)Nc2ccccc2-c2nc3ncccc3o2)c1.COc1cc(C(=O)Cc2ccccc2-c2nc3ccccc3o2)cc(OC)c1OC.Cc1nc(-c2cccnc2)sc1C(=O)Nc1ccccc1-c1cn2c(CN3CCOCC3)csc2n1.O=C(Nc1ccccc1-c1cn2c(CN3CC[C@@H](O)C3)csc2n1)c1ccc2ccccc2c1
InChIInChI=1S/C27H24N4O2S.C26H24N6O2S2.C24H21NO5.C21H18N4O2/c32-22-11-12-30(15-22)14-21-17-34-27-29-25(16-31(21)27)23-7-3-4-8-24(23)28-26(33)20-10-9-18-5-1-2-6-19(18)13-20;1-17-23(36-25(28-17)18-5-4-8-27-13-18)24(33)29-21-7-3-2-6-20(21)22-15-32-19(16-35-26(32)30-22)14-31-9-11-34-12-10-31;1-27-21-13-16(14-22(28-2)23(21)29-3)19(26)12-15-8-4-5-9-17(15)24-25-18-10-6-7-11-20(18)30-24;1-25(2)15-8-5-7-14(13-15)20(26)23-17-10-4-3-9-16(17)21-24-19-18(27-21)11-6-12-22-19/h1-10,13,16-17,22,32H,11-12,14-15H2,(H,28,33);2-8,13,15-16H,9-12,14H2,1H3,(H,29,33);4-11,13-14H,12H2,1-3H3;3-13H,1-2H3,(H,23,26)/t22-;;;/m1.../s1
InChIKeyKIOGTRJHVQAWSR-YJZWPAEXSA-N
XLogP19.16
TPSA296.57 Ų
H-Bond Donors4
H-Bond Acceptors26
Rotatable Bonds22
Heavy Atoms127
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001747.07
LogP ≤ 519.16
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1026

Analyze 2-[2-(1,3-benzoxazol-2-yl)phenyl]-1-(3,4,5-trimethoxyphenyl)ethanone;3-(dimethylamino)-N-[2-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]benzamide;N-[2-[3-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]imidazo[2,1-b][1,3]thiazol-6-yl]phenyl]naphthalene-2-carboxamide;4-methyl-N-[2-[3-(morpholin-4-ylmethyl)imidazo[2,1-b][1,3]thiazol-6-yl]phenyl]-2-pyridin-3-yl-1,3-thiazole-5-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(1,3-benzoxazol-2-yl)phenyl]-1-(3,4,5-trimethoxyphenyl)ethanone;3-(dimethylamino)-N-[2-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]benzamide;N-[2-[3-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]imidazo[2,1-b][1,3]thiazol-6-yl]phenyl]naphthalene-2-carboxamide;4-methyl-N-[2-[3-(morpholin-4-ylmethyl)imidazo[2,1-b][1,3]thiazol-6-yl]phenyl]-2-pyridin-3-yl-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-[2-(1,3-benzoxazol-2-yl)phenyl]-1-(3,4,5-trimethoxyphenyl)ethanone;3-(dimethylamino)-N-[2-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]benzamide;N-[2-[3-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]imidazo[2,1-b][1,3]thiazol-6-yl]phenyl]naphthalene-2-carboxamide;4-methyl-N-[2-[3-(morpholin-4-ylmethyl)imidazo[2,1-b][1,3]thiazol-6-yl]phenyl]-2-pyridin-3-yl-1,3-thiazole-5-carboxamide (CID 159144952) is 2-[2-(1,3-benzoxazol-2-yl)phenyl]-1-(3,4,5-trimethoxyphenyl)ethanone;3-(dimethylamino)-N-[2-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]benzamide;N-[2-[3-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]imidazo[2,1-b][1,3]thiazol-6-yl]phenyl]naphthalene-2-carboxamide;4-methyl-N-[2-[3-(morpholin-4-ylmethyl)imidazo[2,1-b][1,3]thiazol-6-yl]phenyl]-2-pyridin-3-yl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-[2-(1,3-benzoxazol-2-yl)phenyl]-1-(3,4,5-trimethoxyphenyl)ethanone;3-(dimethylamino)-N-[2-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]benzamide;N-[2-[3-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]imidazo[2,1-b][1,3]thiazol-6-yl]phenyl]naphthalene-2-carboxamide;4-methyl-N-[2-[3-(morpholin-4-ylmethyl)imidazo[2,1-b][1,3]thiazol-6-yl]phenyl]-2-pyridin-3-yl-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-[2-(1,3-benzoxazol-2-yl)phenyl]-1-(3,4,5-trimethoxyphenyl)ethanone;3-(dimethylamino)-N-[2-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]benzamide;N-[2-[3-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]imidazo[2,1-b][1,3]thiazol-6-yl]phenyl]naphthalene-2-carboxamide;4-methyl-N-[2-[3-(morpholin-4-ylmethyl)imidazo[2,1-b][1,3]thiazol-6-yl]phenyl]-2-pyridin-3-yl-1,3-thiazole-5-carboxamide is CN(C)c1cccc(C(=O)Nc2ccccc2-c2nc3ncccc3o2)c1.COc1cc(C(=O)Cc2ccccc2-c2nc3ccccc3o2)cc(OC)c1OC.Cc1nc(-c2cccnc2)sc1C(=O)Nc1ccccc1-c1cn2c(CN3CCOCC3)csc2n1.O=C(Nc1ccccc1-c1cn2c(CN3CC[C@@H](O)C3)csc2n1)c1ccc2ccccc2c1.
What is the InChIKey of 2-[2-(1,3-benzoxazol-2-yl)phenyl]-1-(3,4,5-trimethoxyphenyl)ethanone;3-(dimethylamino)-N-[2-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]benzamide;N-[2-[3-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]imidazo[2,1-b][1,3]thiazol-6-yl]phenyl]naphthalene-2-carboxamide;4-methyl-N-[2-[3-(morpholin-4-ylmethyl)imidazo[2,1-b][1,3]thiazol-6-yl]phenyl]-2-pyridin-3-yl-1,3-thiazole-5-carboxamide?
The InChIKey is KIOGTRJHVQAWSR-YJZWPAEXSA-N. The full InChI is InChI=1S/C27H24N4O2S.C26H24N6O2S2.C24H21NO5.C21H18N4O2/c32-22-11-12-30(15-22)14-21-17-34-27-29-25(16-31(21)27)23-7-3-4-8-24(23)28-26(33)20-10-9-18-5-1-2-6-19(18)13-20;1-17-23(36-25(28-17)18-5-4-8-27-13-18)24(33)29-21-7-3-2-6-20(21)22-15-32-19(16-35-26(32)30-22)14-31-9-11-34-12-10-31;1-27-21-13-16(14-22(28-2)23(21)29-3)19(26)12-15-8-4-5-9-17(15)24-25-18-10-6-7-11-20(18)30-24;1-25(2)15-8-5-7-14(13-15)20(26)23-17-10-4-3-9-16(17)21-24-19-18(27-21)11-6-12-22-19/h1-10,13,16-17,22,32H,11-12,14-15H2,(H,28,33);2-8,13,15-16H,9-12,14H2,1H3,(H,29,33);4-11,13-14H,12H2,1-3H3;3-13H,1-2H3,(H,23,26)/t22-;;;/m1.../s1.
What are the key properties of 2-[2-(1,3-benzoxazol-2-yl)phenyl]-1-(3,4,5-trimethoxyphenyl)ethanone;3-(dimethylamino)-N-[2-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]benzamide;N-[2-[3-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]imidazo[2,1-b][1,3]thiazol-6-yl]phenyl]naphthalene-2-carboxamide;4-methyl-N-[2-[3-(morpholin-4-ylmethyl)imidazo[2,1-b][1,3]thiazol-6-yl]phenyl]-2-pyridin-3-yl-1,3-thiazole-5-carboxamide?
2-[2-(1,3-benzoxazol-2-yl)phenyl]-1-(3,4,5-trimethoxyphenyl)ethanone;3-(dimethylamino)-N-[2-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]benzamide;N-[2-[3-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]imidazo[2,1-b][1,3]thiazol-6-yl]phenyl]naphthalene-2-carboxamide;4-methyl-N-[2-[3-(morpholin-4-ylmethyl)imidazo[2,1-b][1,3]thiazol-6-yl]phenyl]-2-pyridin-3-yl-1,3-thiazole-5-carboxamide has a molecular weight of 1747.07 g/mol, XLogP of 19.16, 22 rotatable bonds, 4 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1,3-benzoxazol-2-yl)phenyl]-1-(3,4,5-trimethoxyphenyl)ethanone;3-(dimethylamino)-N-[2-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]benzamide;N-[2-[3-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]imidazo[2,1-b][1,3]thiazol-6-yl]phenyl]naphthalene-2-carboxamide;4-methyl-N-[2-[3-(morpholin-4-ylmethyl)imidazo[2,1-b][1,3]thiazol-6-yl]phenyl]-2-pyridin-3-yl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 159144952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).