N-[3-[4-[[[2-(2-chlorophenyl)acetyl]amino]methyl]-5-methyl-1,3-oxazol-2-yl]phenyl]-3-methylbutanamide

C24H26ClN3O3 — CID 118754253

IUPACN-[3-[4-[[[2-(2-chlorophenyl)acetyl]amino]methyl]-5-methyl-1,3-oxazol-2-yl]phenyl]-3-methylbutanamide
SMILESCc1oc(-c2cccc(NC(=O)CC(C)C)c2)nc1CNC(=O)Cc1ccccc1Cl
InChIInChI=1S/C24H26ClN3O3/c1-15(2)11-23(30)27-19-9-6-8-18(12-19)24-28-21(16(3)31-24)14-26-22(29)13-17-7-4-5-10-20(17)25/h4-10,12,15H,11,13-14H2,1-3H3,(H,26,29)(H,27,30)
InChIKeyUSUYGVSVFNFJAQ-UHFFFAOYSA-N
MW439.94 g/mol
LogP5.15
Rot. Bonds8

About N-[3-[4-[[[2-(2-chlorophenyl)acetyl]amino]methyl]-5-methyl-1,3-oxazol-2-yl]phenyl]-3-methylbutanamide

N-[3-[4-[[[2-(2-chlorophenyl)acetyl]amino]methyl]-5-methyl-1,3-oxazol-2-yl]phenyl]-3-methylbutanamide (PubChem CID 118754253) has the molecular formula C24H26ClN3O3 and a molecular weight of 439.94 g/mol. Its IUPAC name is N-[3-[4-[[[2-(2-chlorophenyl)acetyl]amino]methyl]-5-methyl-1,3-oxazol-2-yl]phenyl]-3-methylbutanamide.

Molecular Properties

Compound NameN-[3-[4-[[[2-(2-chlorophenyl)acetyl]amino]methyl]-5-methyl-1,3-oxazol-2-yl]phenyl]-3-methylbutanamide
PubChem CID118754253
Molecular FormulaC24H26ClN3O3
Molecular Weight439.94 g/mol
Exact Mass439.17
IUPAC NameN-[3-[4-[[[2-(2-chlorophenyl)acetyl]amino]methyl]-5-methyl-1,3-oxazol-2-yl]phenyl]-3-methylbutanamide
SMILESCc1oc(-c2cccc(NC(=O)CC(C)C)c2)nc1CNC(=O)Cc1ccccc1Cl
InChIInChI=1S/C24H26ClN3O3/c1-15(2)11-23(30)27-19-9-6-8-18(12-19)24-28-21(16(3)31-24)14-26-22(29)13-17-7-4-5-10-20(17)25/h4-10,12,15H,11,13-14H2,1-3H3,(H,26,29)(H,27,30)
InChIKeyUSUYGVSVFNFJAQ-UHFFFAOYSA-N
XLogP5.15
TPSA84.23 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500439.94
LogP ≤ 55.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[3-[4-[[[2-(2-chlorophenyl)acetyl]amino]methyl]-5-methyl-1,3-oxazol-2-yl]phenyl]-3-methylbutanamide 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-methyl-4-[[[2-(3-methylphenyl)acetyl]amino]methyl]-1,3-oxazol-2-yl]phenyl]pyridine-2-carboxamide
CID 42247588
2,5-dimethyl-N-[3-[5-methyl-4-[[[(2R)-2-methylbutanoyl]amino]methyl]-1,3-oxazol-2-yl]phenyl]furan-3-carboxamide
CID 42324291
N-[[2-[3-[(2-methoxyacetyl)amino]phenyl]-5-methyl-1,3-oxazol-4-yl]methyl]-4-(2-methylpropyl)benzamide
CID 42166903
1-[[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-3-phenylurea
CID 46344183
N-[3-[5-methyl-4-[(3-phenylprop-2-ynoylamino)methyl]-1,3-oxazol-2-yl]phenyl]pyridine-2-carboxamide
CID 42213581
1-[3-(4,5-dimethyl-1,3-oxazol-2-yl)phenyl]-3-(2-methylpropyl)urea
CID 60577786
N-[3-[[[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetyl]amino]methyl]phenyl]cyclopropanecarboxamide
CID 30778625
5-(methoxymethyl)-N-[[2-[3-[[2-(4-methoxyphenyl)acetyl]amino]phenyl]-5-methyl-1,3-oxazol-4-yl]methyl]furan-2-carboxamide
CID 42421181
N-ethyl-3-[[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetyl]amino]benzamide
CID 46514633
N-[3-[5-methyl-4-[[(2-thiophen-2-ylacetyl)amino]methyl]-1,3-oxazol-2-yl]phenyl]-3-pyridin-3-ylpropanamide
CID 42467503
3-methyl-N-[3-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenyl]butanamide
CID 23766038
1-(2-chloro-5-methylphenyl)-3-[[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]urea
CID 46344167

Frequently Asked Questions

What is the IUPAC name of N-[3-[4-[[[2-(2-chlorophenyl)acetyl]amino]methyl]-5-methyl-1,3-oxazol-2-yl]phenyl]-3-methylbutanamide?
The IUPAC name of N-[3-[4-[[[2-(2-chlorophenyl)acetyl]amino]methyl]-5-methyl-1,3-oxazol-2-yl]phenyl]-3-methylbutanamide (CID 118754253) is N-[3-[4-[[[2-(2-chlorophenyl)acetyl]amino]methyl]-5-methyl-1,3-oxazol-2-yl]phenyl]-3-methylbutanamide.
What is the SMILES notation for N-[3-[4-[[[2-(2-chlorophenyl)acetyl]amino]methyl]-5-methyl-1,3-oxazol-2-yl]phenyl]-3-methylbutanamide?
The canonical SMILES for N-[3-[4-[[[2-(2-chlorophenyl)acetyl]amino]methyl]-5-methyl-1,3-oxazol-2-yl]phenyl]-3-methylbutanamide is Cc1oc(-c2cccc(NC(=O)CC(C)C)c2)nc1CNC(=O)Cc1ccccc1Cl.
What is the InChIKey of N-[3-[4-[[[2-(2-chlorophenyl)acetyl]amino]methyl]-5-methyl-1,3-oxazol-2-yl]phenyl]-3-methylbutanamide?
The InChIKey is USUYGVSVFNFJAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26ClN3O3/c1-15(2)11-23(30)27-19-9-6-8-18(12-19)24-28-21(16(3)31-24)14-26-22(29)13-17-7-4-5-10-20(17)25/h4-10,12,15H,11,13-14H2,1-3H3,(H,26,29)(H,27,30).
What are the key properties of N-[3-[4-[[[2-(2-chlorophenyl)acetyl]amino]methyl]-5-methyl-1,3-oxazol-2-yl]phenyl]-3-methylbutanamide?
N-[3-[4-[[[2-(2-chlorophenyl)acetyl]amino]methyl]-5-methyl-1,3-oxazol-2-yl]phenyl]-3-methylbutanamide has a molecular weight of 439.94 g/mol, XLogP of 5.15, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-[[[2-(2-chlorophenyl)acetyl]amino]methyl]-5-methyl-1,3-oxazol-2-yl]phenyl]-3-methylbutanamide is sourced from PubChem (CID 118754253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).