2-ethyl-N-[(4-methoxyphenyl)methyl]-5-(5-methyl-5-phenyl-4H-1,2-oxazol-3-yl)benzamide

C27H28N2O3 — CID 123691533

IUPAC2-ethyl-N-[(4-methoxyphenyl)methyl]-5-(5-methyl-5-phenyl-4H-1,2-oxazol-3-yl)benzamide
SMILESCCc1ccc(C2=NOC(C)(c3ccccc3)C2)cc1C(=O)NCc1ccc(OC)cc1
InChIInChI=1S/C27H28N2O3/c1-4-20-12-13-21(25-17-27(2,32-29-25)22-8-6-5-7-9-22)16-24(20)26(30)28-18-19-10-14-23(31-3)15-11-19/h5-16H,4,17-18H2,1-3H3,(H,28,30)
InChIKeyRMEQNAREYDZGGJ-UHFFFAOYSA-N
MW428.53 g/mol
LogP5.23
Rot. Bonds7

About 2-ethyl-N-[(4-methoxyphenyl)methyl]-5-(5-methyl-5-phenyl-4H-1,2-oxazol-3-yl)benzamide

2-ethyl-N-[(4-methoxyphenyl)methyl]-5-(5-methyl-5-phenyl-4H-1,2-oxazol-3-yl)benzamide (PubChem CID 123691533) has the molecular formula C27H28N2O3 and a molecular weight of 428.53 g/mol. Its IUPAC name is 2-ethyl-N-[(4-methoxyphenyl)methyl]-5-(5-methyl-5-phenyl-4H-1,2-oxazol-3-yl)benzamide.

Molecular Properties

Compound Name2-ethyl-N-[(4-methoxyphenyl)methyl]-5-(5-methyl-5-phenyl-4H-1,2-oxazol-3-yl)benzamide
PubChem CID123691533
Molecular FormulaC27H28N2O3
Molecular Weight428.53 g/mol
Exact Mass428.21
IUPAC Name2-ethyl-N-[(4-methoxyphenyl)methyl]-5-(5-methyl-5-phenyl-4H-1,2-oxazol-3-yl)benzamide
SMILESCCc1ccc(C2=NOC(C)(c3ccccc3)C2)cc1C(=O)NCc1ccc(OC)cc1
InChIInChI=1S/C27H28N2O3/c1-4-20-12-13-21(25-17-27(2,32-29-25)22-8-6-5-7-9-22)16-24(20)26(30)28-18-19-10-14-23(31-3)15-11-19/h5-16H,4,17-18H2,1-3H3,(H,28,30)
InChIKeyRMEQNAREYDZGGJ-UHFFFAOYSA-N
XLogP5.23
TPSA59.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.53
LogP ≤ 55.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-ethyl-N-[(4-methoxyphenyl)methyl]-5-(5-methyl-5-phenyl-4H-1,2-oxazol-3-yl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[[3-[5-hydroxy-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]methyl]-2-(4-methoxyphenyl)acetamide
CID 59652669
N-[(4-methoxyphenyl)methyl]-2-(2-phenylacetyl)benzamide
CID 1274362
1-[[4-[5-hydroxy-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]methyl]-3-[(4-methoxyphenyl)methyl]urea
CID 59652493
N-benzyl-2-(4-methoxyphenyl)acetamide
CID 795936
2-ethyl-5-[(4-methoxyphenyl)methylcarbamoyl]furan-3-carboxylic acid
CID 120822184
N-[(4-methoxyphenyl)methyl]-2-methylquinoline-4-carboxamide
CID 7959679
2-(4-methoxyphenyl)-N-(pyridin-4-ylmethyl)quinoline-4-carboxamide
CID 2666564
N-benzyl-5-(4-methoxyphenyl)pyridine-3-carboxamide
CID 53020816
2-methoxy-5-phenyl-N-(pyridin-4-ylmethyl)benzamide
CID 110410764
N-[(4-methoxyphenyl)methyl]-3-[[(4-pyridin-4-ylbenzoyl)amino]methyl]benzamide
CID 170951274
N-[(4-methoxyphenyl)methyl]naphthalene-2-carboxamide
CID 883831
N-[[4-(1,3-benzoxazol-2-yl)phenyl]methyl]-4-methoxybenzamide
CID 17100815

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-[(4-methoxyphenyl)methyl]-5-(5-methyl-5-phenyl-4H-1,2-oxazol-3-yl)benzamide?
The IUPAC name of 2-ethyl-N-[(4-methoxyphenyl)methyl]-5-(5-methyl-5-phenyl-4H-1,2-oxazol-3-yl)benzamide (CID 123691533) is 2-ethyl-N-[(4-methoxyphenyl)methyl]-5-(5-methyl-5-phenyl-4H-1,2-oxazol-3-yl)benzamide.
What is the SMILES notation for 2-ethyl-N-[(4-methoxyphenyl)methyl]-5-(5-methyl-5-phenyl-4H-1,2-oxazol-3-yl)benzamide?
The canonical SMILES for 2-ethyl-N-[(4-methoxyphenyl)methyl]-5-(5-methyl-5-phenyl-4H-1,2-oxazol-3-yl)benzamide is CCc1ccc(C2=NOC(C)(c3ccccc3)C2)cc1C(=O)NCc1ccc(OC)cc1.
What is the InChIKey of 2-ethyl-N-[(4-methoxyphenyl)methyl]-5-(5-methyl-5-phenyl-4H-1,2-oxazol-3-yl)benzamide?
The InChIKey is RMEQNAREYDZGGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28N2O3/c1-4-20-12-13-21(25-17-27(2,32-29-25)22-8-6-5-7-9-22)16-24(20)26(30)28-18-19-10-14-23(31-3)15-11-19/h5-16H,4,17-18H2,1-3H3,(H,28,30).
What are the key properties of 2-ethyl-N-[(4-methoxyphenyl)methyl]-5-(5-methyl-5-phenyl-4H-1,2-oxazol-3-yl)benzamide?
2-ethyl-N-[(4-methoxyphenyl)methyl]-5-(5-methyl-5-phenyl-4H-1,2-oxazol-3-yl)benzamide has a molecular weight of 428.53 g/mol, XLogP of 5.23, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-[(4-methoxyphenyl)methyl]-5-(5-methyl-5-phenyl-4H-1,2-oxazol-3-yl)benzamide is sourced from PubChem (CID 123691533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).