N-[(R)-(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]-3-methyl-6-(4-methylphenyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide

C28H27N5O4 — CID 25405811

IUPACN-[(R)-(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]-3-methyl-6-(4-methylphenyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
SMILESCOc1cc(OC)cc([C@@H](NC(=O)c2cc(-c3ccc(C)cc3)nc3onc(C)c23)c2nccn2C)c1
InChIInChI=1S/C28H27N5O4/c1-16-6-8-18(9-7-16)23-15-22(24-17(2)32-37-28(24)30-23)27(34)31-25(26-29-10-11-33(26)3)19-12-20(35-4)14-21(13-19)36-5/h6-15,25H,1-5H3,(H,31,34)/t25-/m1/s1
InChIKeyLXLGRTIHTBWCDP-RUZDIDTESA-N
MW497.56 g/mol
LogP4.78
Rot. Bonds7

About N-[(R)-(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]-3-methyl-6-(4-methylphenyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide

N-[(R)-(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]-3-methyl-6-(4-methylphenyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 25405811) has the molecular formula C28H27N5O4 and a molecular weight of 497.56 g/mol. Its IUPAC name is N-[(R)-(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]-3-methyl-6-(4-methylphenyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[(R)-(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]-3-methyl-6-(4-methylphenyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
PubChem CID25405811
Molecular FormulaC28H27N5O4
Molecular Weight497.56 g/mol
Exact Mass497.21
IUPAC NameN-[(R)-(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]-3-methyl-6-(4-methylphenyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
SMILESCOc1cc(OC)cc([C@@H](NC(=O)c2cc(-c3ccc(C)cc3)nc3onc(C)c23)c2nccn2C)c1
InChIInChI=1S/C28H27N5O4/c1-16-6-8-18(9-7-16)23-15-22(24-17(2)32-37-28(24)30-23)27(34)31-25(26-29-10-11-33(26)3)19-12-20(35-4)14-21(13-19)36-5/h6-15,25H,1-5H3,(H,31,34)/t25-/m1/s1
InChIKeyLXLGRTIHTBWCDP-RUZDIDTESA-N
XLogP4.78
TPSA104.30 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.56
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

Imidazo[1,2-c]pyrimidine-8-carboxamide, 12
CID 25138170
4-Methoxy-3-[4-(2-methyl-imidazo[4,5-c]pyridin-1-ylmethyl)-benzoyl]-indole-1-carboxylic acid dimethylamide
CID 10790411
Dimethyl-carbamic acid 1-dimethylcarbamoyl-3-[4-(2-methyl-imidazo[4,5-c]pyridin-1-ylmethyl)-benzoyl]-1H-indol-4-yl ester
CID 11800214
7-(3,5-dimethyl-4-isoxazolyl)-8-(methyloxy)-1-(2-pyridinylmethyl)-1H-imidazo[4,5-c]quinolin-2-amine
CID 66571282
[7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methoxy-1-[(1R)-1-pyridin-2-ylethyl]imidazo[4,5-c]quinolin-2-yl]cyanamide
CID 91668224
N-isopropyl-2-(2-methoxy-4-(3,5-dimethylisoxazol-4-yl)phenyl)imidazo[1,2-a]pyrazin-3-amine
CID 117834615
N-tert-butyl-2-(2-methoxy-4-(3,5-dimethylisoxazol-4-yl)phenyl)imidazo[1,2-a]pyrazin-3-amine
CID 117841255
N-[2-[[3-(3,5-dimethoxybenzoyl)-1-methylpyrrolo[2,3-b]pyridin-6-yl]amino]phenyl]prop-2-enamide
CID 146271566
Bet-IN-20
CID 70664192
3-(1H-imidazol-1-yl)-N-(4-(4-(5-methoxybenzo[d]isoxazol-3-yl)piperazin-1-yl)butyl)benzamide
CID 11518499
4-imidazol-1-yl-N-[4-[4-(5-methoxy-1,2-benzoxazol-3-yl)piperazin-1-yl]butyl]benzamide
CID 11569099
N-cyclohexyl-2-[(3,5-dimethoxybenzoyl)amino]-6-methylimidazo[1,2-a]pyridine-3-carboxamide
CID 155552121

Frequently Asked Questions

What is the IUPAC name of N-[(R)-(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]-3-methyl-6-(4-methylphenyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The IUPAC name of N-[(R)-(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]-3-methyl-6-(4-methylphenyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide (CID 25405811) is N-[(R)-(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]-3-methyl-6-(4-methylphenyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide.
What is the SMILES notation for N-[(R)-(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]-3-methyl-6-(4-methylphenyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The canonical SMILES for N-[(R)-(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]-3-methyl-6-(4-methylphenyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide is COc1cc(OC)cc([C@@H](NC(=O)c2cc(-c3ccc(C)cc3)nc3onc(C)c23)c2nccn2C)c1.
What is the InChIKey of N-[(R)-(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]-3-methyl-6-(4-methylphenyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The InChIKey is LXLGRTIHTBWCDP-RUZDIDTESA-N. The full InChI is InChI=1S/C28H27N5O4/c1-16-6-8-18(9-7-16)23-15-22(24-17(2)32-37-28(24)30-23)27(34)31-25(26-29-10-11-33(26)3)19-12-20(35-4)14-21(13-19)36-5/h6-15,25H,1-5H3,(H,31,34)/t25-/m1/s1.
What are the key properties of N-[(R)-(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]-3-methyl-6-(4-methylphenyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
N-[(R)-(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]-3-methyl-6-(4-methylphenyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 497.56 g/mol, XLogP of 4.78, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(R)-(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]-3-methyl-6-(4-methylphenyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 25405811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).