N-(4-benzamido-2,5-dimethoxyphenyl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide

C26H23N3O5 — CID 4035608

IUPACN-(4-benzamido-2,5-dimethoxyphenyl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
SMILESCOc1cc(NC(=O)c2c(-c3ccccc3)noc2C)c(OC)cc1NC(=O)c1ccccc1
InChIInChI=1S/C26H23N3O5/c1-16-23(24(29-34-16)17-10-6-4-7-11-17)26(31)28-20-15-21(32-2)19(14-22(20)33-3)27-25(30)18-12-8-5-9-13-18/h4-15H,1-3H3,(H,27,30)(H,28,31)
InChIKeyJATAXLCXVISVJM-UHFFFAOYSA-N
MW457.49 g/mol
LogP5.17
Rot. Bonds7

About N-(4-benzamido-2,5-dimethoxyphenyl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide

N-(4-benzamido-2,5-dimethoxyphenyl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide (PubChem CID 4035608) has the molecular formula C26H23N3O5 and a molecular weight of 457.49 g/mol. Its IUPAC name is N-(4-benzamido-2,5-dimethoxyphenyl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-(4-benzamido-2,5-dimethoxyphenyl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
PubChem CID4035608
Molecular FormulaC26H23N3O5
Molecular Weight457.49 g/mol
Exact Mass457.16
IUPAC NameN-(4-benzamido-2,5-dimethoxyphenyl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
SMILESCOc1cc(NC(=O)c2c(-c3ccccc3)noc2C)c(OC)cc1NC(=O)c1ccccc1
InChIInChI=1S/C26H23N3O5/c1-16-23(24(29-34-16)17-10-6-4-7-11-17)26(31)28-20-15-21(32-2)19(14-22(20)33-3)27-25(30)18-12-8-5-9-13-18/h4-15H,1-3H3,(H,27,30)(H,28,31)
InChIKeyJATAXLCXVISVJM-UHFFFAOYSA-N
XLogP5.17
TPSA102.69 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500457.49
LogP ≤ 55.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(5-chloro-2,4-dimethoxyphenyl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
CID 1246987
N-(3,4-dimethoxyphenyl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
CID 2366225
N-[5-(cyclopropylsulfamoyl)-2-methoxyphenyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
CID 33159779
N-(4-benzamido-2,5-dimethoxyphenyl)benzamide
CID 1053126
methyl 3-methyl-4-[(5-methyl-3-phenyl-1,2-oxazole-4-carbonyl)amino]benzoate
CID 36930577
4-[6-methoxy-5-[(5-methyl-3-phenyl-1,2-oxazole-4-carbonyl)amino]-2-pyridinyl]benzoic acid
CID 175525447
N-(2-methoxy-6-pyridin-4-yl-3-pyridinyl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
CID 166108834
5-methyl-3-phenyl-N-[2-(trifluoromethyl)phenyl]-1,2-oxazole-4-carboxamide
CID 1223086
N-(4,5-dimethyl-1,2-oxazol-3-yl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
CID 138046221
N-(3-iodo-4-methylphenyl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
CID 2649068
N-[4-(fluoroamino)-2,5-dimethoxyphenyl]benzamide
CID 142075014
N-(5-chloro-2-methoxyphenyl)-3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 1070119

Frequently Asked Questions

What is the IUPAC name of N-(4-benzamido-2,5-dimethoxyphenyl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide?
The IUPAC name of N-(4-benzamido-2,5-dimethoxyphenyl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide (CID 4035608) is N-(4-benzamido-2,5-dimethoxyphenyl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for N-(4-benzamido-2,5-dimethoxyphenyl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide?
The canonical SMILES for N-(4-benzamido-2,5-dimethoxyphenyl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide is COc1cc(NC(=O)c2c(-c3ccccc3)noc2C)c(OC)cc1NC(=O)c1ccccc1.
What is the InChIKey of N-(4-benzamido-2,5-dimethoxyphenyl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide?
The InChIKey is JATAXLCXVISVJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23N3O5/c1-16-23(24(29-34-16)17-10-6-4-7-11-17)26(31)28-20-15-21(32-2)19(14-22(20)33-3)27-25(30)18-12-8-5-9-13-18/h4-15H,1-3H3,(H,27,30)(H,28,31).
What are the key properties of N-(4-benzamido-2,5-dimethoxyphenyl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide?
N-(4-benzamido-2,5-dimethoxyphenyl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide has a molecular weight of 457.49 g/mol, XLogP of 5.17, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-benzamido-2,5-dimethoxyphenyl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 4035608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).