4-(2-chlorophenyl)-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]butanamide

C16H18ClN3O3 — CID 110614657

IUPAC4-(2-chlorophenyl)-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]butanamide
SMILESCc1cc(NC(=O)CNC(=O)CCCc2ccccc2Cl)no1
InChIInChI=1S/C16H18ClN3O3/c1-11-9-14(20-23-11)19-16(22)10-18-15(21)8-4-6-12-5-2-3-7-13(12)17/h2-3,5,7,9H,4,6,8,10H2,1H3,(H,18,21)(H,19,20,22)
InChIKeyQNPGGAKCZASITJ-UHFFFAOYSA-N
MW335.79 g/mol
LogP2.71
Rot. Bonds7

About 4-(2-chlorophenyl)-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]butanamide

4-(2-chlorophenyl)-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]butanamide (PubChem CID 110614657) has the molecular formula C16H18ClN3O3 and a molecular weight of 335.79 g/mol. Its IUPAC name is 4-(2-chlorophenyl)-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]butanamide.

Molecular Properties

Compound Name4-(2-chlorophenyl)-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]butanamide
PubChem CID110614657
Molecular FormulaC16H18ClN3O3
Molecular Weight335.79 g/mol
Exact Mass335.10
IUPAC Name4-(2-chlorophenyl)-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]butanamide
SMILESCc1cc(NC(=O)CNC(=O)CCCc2ccccc2Cl)no1
InChIInChI=1S/C16H18ClN3O3/c1-11-9-14(20-23-11)19-16(22)10-18-15(21)8-4-6-12-5-2-3-7-13(12)17/h2-3,5,7,9H,4,6,8,10H2,1H3,(H,18,21)(H,19,20,22)
InChIKeyQNPGGAKCZASITJ-UHFFFAOYSA-N
XLogP2.71
TPSA84.23 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.79
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-(2-chlorophenyl)-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]butanamide 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

3-(2-fluorophenyl)-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]propanamide
CID 110614533
4-(4-chlorophenyl)-N-(5-methyl-1,2-oxazol-3-yl)butanamide
CID 47246136
1-[(2-chlorophenyl)methyl]-1-methyl-3-(5-methyl-1,2-oxazol-3-yl)urea
CID 47125477
N-[(2-chlorophenyl)methyl]-2,2-dimethyl-N'-(5-methyl-1,2-oxazol-3-yl)propanediamide
CID 108962769
3-acetamido-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]propanamide
CID 110614580
N-[2-(2,4-dichlorophenyl)ethyl]-N'-(5-methyl-1,2-oxazol-3-yl)propanediamide
CID 108952659
2-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 30662699
N-[2-[[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]amino]-2-oxoethyl]benzamide
CID 110671903
(2R)-2-[(S)-(2-chlorophenyl)methylsulfinyl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 95331521
5-(4-fluorophenyl)-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-5-oxopentanamide
CID 110619325
N-(4-acetamidobutyl)-4-(2-chlorophenyl)butanamide
CID 110609861
N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-2-thiophen-2-ylacetamide
CID 110370222

Frequently Asked Questions

What is the IUPAC name of 4-(2-chlorophenyl)-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]butanamide?
The IUPAC name of 4-(2-chlorophenyl)-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]butanamide (CID 110614657) is 4-(2-chlorophenyl)-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]butanamide.
What is the SMILES notation for 4-(2-chlorophenyl)-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]butanamide?
The canonical SMILES for 4-(2-chlorophenyl)-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]butanamide is Cc1cc(NC(=O)CNC(=O)CCCc2ccccc2Cl)no1.
What is the InChIKey of 4-(2-chlorophenyl)-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]butanamide?
The InChIKey is QNPGGAKCZASITJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClN3O3/c1-11-9-14(20-23-11)19-16(22)10-18-15(21)8-4-6-12-5-2-3-7-13(12)17/h2-3,5,7,9H,4,6,8,10H2,1H3,(H,18,21)(H,19,20,22).
What are the key properties of 4-(2-chlorophenyl)-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]butanamide?
4-(2-chlorophenyl)-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]butanamide has a molecular weight of 335.79 g/mol, XLogP of 2.71, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chlorophenyl)-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]butanamide is sourced from PubChem (CID 110614657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).