3-acetamido-3-(4-chlorophenyl)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]propanamide

C17H20ClN3O3 — CID 87043579

IUPAC3-acetamido-3-(4-chlorophenyl)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]propanamide
SMILESCC(=O)NC(CC(=O)NCc1nc(C)c(C)o1)c1ccc(Cl)cc1
InChIInChI=1S/C17H20ClN3O3/c1-10-11(2)24-17(20-10)9-19-16(23)8-15(21-12(3)22)13-4-6-14(18)7-5-13/h4-7,15H,8-9H2,1-3H3,(H,19,23)(H,21,22)
InChIKeyAAIQEEIKUGPUGU-UHFFFAOYSA-N
MW349.82 g/mol
LogP2.83
Rot. Bonds6

About 3-acetamido-3-(4-chlorophenyl)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]propanamide

3-acetamido-3-(4-chlorophenyl)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]propanamide (PubChem CID 87043579) has the molecular formula C17H20ClN3O3 and a molecular weight of 349.82 g/mol. Its IUPAC name is 3-acetamido-3-(4-chlorophenyl)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]propanamide.

Molecular Properties

Compound Name3-acetamido-3-(4-chlorophenyl)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]propanamide
PubChem CID87043579
Molecular FormulaC17H20ClN3O3
Molecular Weight349.82 g/mol
Exact Mass349.12
IUPAC Name3-acetamido-3-(4-chlorophenyl)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]propanamide
SMILESCC(=O)NC(CC(=O)NCc1nc(C)c(C)o1)c1ccc(Cl)cc1
InChIInChI=1S/C17H20ClN3O3/c1-10-11(2)24-17(20-10)9-19-16(23)8-15(21-12(3)22)13-4-6-14(18)7-5-13/h4-7,15H,8-9H2,1-3H3,(H,19,23)(H,21,22)
InChIKeyAAIQEEIKUGPUGU-UHFFFAOYSA-N
XLogP2.83
TPSA84.23 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.82
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-acetamido-3-(4-chlorophenyl)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]propanamide with MolForge

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Related Compounds

(3R)-3-acetamido-3-(4-chlorophenyl)-N-(pyridin-4-ylmethyl)propanamide
CID 51980916
(3S)-3-acetamido-N-[(4-chlorophenyl)methyl]-3-phenylpropanamide
CID 40939423
2-[[[3-acetamido-3-(4-chlorophenyl)propanoyl]amino]methyl]-1,3-thiazole-4-carboxylic acid
CID 119244736
(3R)-3-acetamido-3-(4-chlorophenyl)-N-[(2R)-2-hydroxy-2-(4-methylphenyl)ethyl]propanamide
CID 52516198
(3R)-3-acetamido-3-(4-chlorophenyl)-N-[(6-oxo-1H-pyridin-3-yl)methyl]propanamide
CID 95352314
3-acetamido-N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-3-(4-chlorophenyl)propanamide
CID 55428569
ethyl (3R)-3-acetamido-3-(4-chlorophenyl)propanoate
CID 11425680
3-acetamido-3-(4-chlorophenyl)-N-[3-(methylamino)propyl]propanamide;hydrochloride
CID 119432712
2-(2-chlorophenyl)sulfanyl-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]acetamide
CID 87043322
3-acetamido-3-(4-chlorophenyl)-N-(4-methylphenyl)propanamide
CID 51194875
(3R)-3-acetamido-3-(4-chlorophenyl)-N-(2-phenylethyl)propanamide
CID 51923223
3-acetamido-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-phenylpropanamide
CID 75462228

Frequently Asked Questions

What is the IUPAC name of 3-acetamido-3-(4-chlorophenyl)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]propanamide?
The IUPAC name of 3-acetamido-3-(4-chlorophenyl)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]propanamide (CID 87043579) is 3-acetamido-3-(4-chlorophenyl)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]propanamide.
What is the SMILES notation for 3-acetamido-3-(4-chlorophenyl)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]propanamide?
The canonical SMILES for 3-acetamido-3-(4-chlorophenyl)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]propanamide is CC(=O)NC(CC(=O)NCc1nc(C)c(C)o1)c1ccc(Cl)cc1.
What is the InChIKey of 3-acetamido-3-(4-chlorophenyl)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]propanamide?
The InChIKey is AAIQEEIKUGPUGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClN3O3/c1-10-11(2)24-17(20-10)9-19-16(23)8-15(21-12(3)22)13-4-6-14(18)7-5-13/h4-7,15H,8-9H2,1-3H3,(H,19,23)(H,21,22).
What are the key properties of 3-acetamido-3-(4-chlorophenyl)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]propanamide?
3-acetamido-3-(4-chlorophenyl)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]propanamide has a molecular weight of 349.82 g/mol, XLogP of 2.83, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetamido-3-(4-chlorophenyl)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]propanamide is sourced from PubChem (CID 87043579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).