5-[4-(dimethylamino)phenyl]-N-(4-methoxyphenyl)-N-methyl-2-(2-phenylphenyl)-1,3-oxazole-4-carboxamide

C32H29N3O3 — CID 70165233

IUPAC5-[4-(dimethylamino)phenyl]-N-(4-methoxyphenyl)-N-methyl-2-(2-phenylphenyl)-1,3-oxazole-4-carboxamide
SMILESCOc1ccc(N(C)C(=O)c2nc(-c3ccccc3-c3ccccc3)oc2-c2ccc(N(C)C)cc2)cc1
InChIInChI=1S/C32H29N3O3/c1-34(2)24-16-14-23(15-17-24)30-29(32(36)35(3)25-18-20-26(37-4)21-19-25)33-31(38-30)28-13-9-8-12-27(28)22-10-6-5-7-11-22/h5-21H,1-4H3
InChIKeyKRFYBRLPQPUOPF-UHFFFAOYSA-N
MW503.60 g/mol
LogP7.03
Rot. Bonds7

About 5-[4-(dimethylamino)phenyl]-N-(4-methoxyphenyl)-N-methyl-2-(2-phenylphenyl)-1,3-oxazole-4-carboxamide

5-[4-(dimethylamino)phenyl]-N-(4-methoxyphenyl)-N-methyl-2-(2-phenylphenyl)-1,3-oxazole-4-carboxamide (PubChem CID 70165233) has the molecular formula C32H29N3O3 and a molecular weight of 503.60 g/mol. Its IUPAC name is 5-[4-(dimethylamino)phenyl]-N-(4-methoxyphenyl)-N-methyl-2-(2-phenylphenyl)-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name5-[4-(dimethylamino)phenyl]-N-(4-methoxyphenyl)-N-methyl-2-(2-phenylphenyl)-1,3-oxazole-4-carboxamide
PubChem CID70165233
Molecular FormulaC32H29N3O3
Molecular Weight503.60 g/mol
Exact Mass503.22
IUPAC Name5-[4-(dimethylamino)phenyl]-N-(4-methoxyphenyl)-N-methyl-2-(2-phenylphenyl)-1,3-oxazole-4-carboxamide
SMILESCOc1ccc(N(C)C(=O)c2nc(-c3ccccc3-c3ccccc3)oc2-c2ccc(N(C)C)cc2)cc1
InChIInChI=1S/C32H29N3O3/c1-34(2)24-16-14-23(15-17-24)30-29(32(36)35(3)25-18-20-26(37-4)21-19-25)33-31(38-30)28-13-9-8-12-27(28)22-10-6-5-7-11-22/h5-21H,1-4H3
InChIKeyKRFYBRLPQPUOPF-UHFFFAOYSA-N
XLogP7.03
TPSA58.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500503.60
LogP ≤ 57.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[4-(4-Fluorophenyl)piperazin-1-yl]-(5-methyl-2-phenyl-1,3-oxazol-4-yl)methanone
CID 2572028
7-{[4-(4-Methoxyphenyl)piperazin-1-yl]carbonyl}-2-methyl-1,3-benzoxazole
CID 1510405
N-{2-[4-(dimethylamino)phenyl]-1,3-benzoxazol-5-yl}-2-methylbenzamide
CID 3290907
1-[[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]methyl]-5-phenyl-3H-1,4-benzodiazepin-2-one
CID 16009959
N-[2-(tert-butylamino)-1-(5-methylfuran-2-yl)-2-oxoethyl]-N-(4-cyclohexylphenyl)-5-phenyl-1H-pyrrole-2-carboxamide
CID 45488728
N-[2-(cyclohexylamino)-1-(5-methylfuran-2-yl)-2-oxoethyl]-N-(4-cyclohexylphenyl)-5-phenyl-1H-pyrrole-2-carboxamide
CID 3174502
1-[(5-Methyl-2-phenyl-1,3-oxazol-4-YL)methyl]-5-phenyl-2,3-dihydro-1H-1,4-benzodiazepin-2-one
CID 4053467
1-{[2-(4-Methoxyphenyl)-5-methyl-1,3-oxazol-4-YL]methyl}-5-phenyl-2,3-dihydro-1H-1,4-benzodiazepin-2-one
CID 16016708
[4-[[4-[(4-Cyclohexylphenyl)carbamoyl]-2-phenyl-1,3-oxazol-5-yl]methyl]phenyl] dihydrogen phosphate
CID 67326077
1-(4-Methoxyphenyl)-4-{4-[5-methyl-4-(phenoxymethyl)-1,3-oxazol-2-yl]benzoyl}piperazine
CID 16022229
N-[4-(1,3-benzoxazol-2-yl)phenyl]-2-methylbenzamide
CID 810790
N-(4-cyclohexylphenyl)-5-[(4-hydroxyphenyl)methyl]-2-phenyl-1,3-oxazole-4-carboxamide
CID 91801281

Frequently Asked Questions

What is the IUPAC name of 5-[4-(dimethylamino)phenyl]-N-(4-methoxyphenyl)-N-methyl-2-(2-phenylphenyl)-1,3-oxazole-4-carboxamide?
The IUPAC name of 5-[4-(dimethylamino)phenyl]-N-(4-methoxyphenyl)-N-methyl-2-(2-phenylphenyl)-1,3-oxazole-4-carboxamide (CID 70165233) is 5-[4-(dimethylamino)phenyl]-N-(4-methoxyphenyl)-N-methyl-2-(2-phenylphenyl)-1,3-oxazole-4-carboxamide.
What is the SMILES notation for 5-[4-(dimethylamino)phenyl]-N-(4-methoxyphenyl)-N-methyl-2-(2-phenylphenyl)-1,3-oxazole-4-carboxamide?
The canonical SMILES for 5-[4-(dimethylamino)phenyl]-N-(4-methoxyphenyl)-N-methyl-2-(2-phenylphenyl)-1,3-oxazole-4-carboxamide is COc1ccc(N(C)C(=O)c2nc(-c3ccccc3-c3ccccc3)oc2-c2ccc(N(C)C)cc2)cc1.
What is the InChIKey of 5-[4-(dimethylamino)phenyl]-N-(4-methoxyphenyl)-N-methyl-2-(2-phenylphenyl)-1,3-oxazole-4-carboxamide?
The InChIKey is KRFYBRLPQPUOPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H29N3O3/c1-34(2)24-16-14-23(15-17-24)30-29(32(36)35(3)25-18-20-26(37-4)21-19-25)33-31(38-30)28-13-9-8-12-27(28)22-10-6-5-7-11-22/h5-21H,1-4H3.
What are the key properties of 5-[4-(dimethylamino)phenyl]-N-(4-methoxyphenyl)-N-methyl-2-(2-phenylphenyl)-1,3-oxazole-4-carboxamide?
5-[4-(dimethylamino)phenyl]-N-(4-methoxyphenyl)-N-methyl-2-(2-phenylphenyl)-1,3-oxazole-4-carboxamide has a molecular weight of 503.60 g/mol, XLogP of 7.03, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(dimethylamino)phenyl]-N-(4-methoxyphenyl)-N-methyl-2-(2-phenylphenyl)-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 70165233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).