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

C16H18ClN3O3 — CID 46487182

IUPAC3-(4-chlorophenyl)-N-methyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]propanamide
SMILESCc1cc(NC(=O)CN(C)C(=O)CCc2ccc(Cl)cc2)no1
InChIInChI=1S/C16H18ClN3O3/c1-11-9-14(19-23-11)18-15(21)10-20(2)16(22)8-5-12-3-6-13(17)7-4-12/h3-4,6-7,9H,5,8,10H2,1-2H3,(H,18,19,21)
InChIKeyAQJVBVWYCRYRLL-UHFFFAOYSA-N
MW335.79 g/mol
LogP2.67
Rot. Bonds6

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

3-(4-chlorophenyl)-N-methyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]propanamide (PubChem CID 46487182) has the molecular formula C16H18ClN3O3 and a molecular weight of 335.79 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-N-methyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]propanamide.

Molecular Properties

Compound Name3-(4-chlorophenyl)-N-methyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]propanamide
PubChem CID46487182
Molecular FormulaC16H18ClN3O3
Molecular Weight335.79 g/mol
Exact Mass335.10
IUPAC Name3-(4-chlorophenyl)-N-methyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]propanamide
SMILESCc1cc(NC(=O)CN(C)C(=O)CCc2ccc(Cl)cc2)no1
InChIInChI=1S/C16H18ClN3O3/c1-11-9-14(19-23-11)18-15(21)10-20(2)16(22)8-5-12-3-6-13(17)7-4-12/h3-4,6-7,9H,5,8,10H2,1-2H3,(H,18,19,21)
InChIKeyAQJVBVWYCRYRLL-UHFFFAOYSA-N
XLogP2.67
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.79
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-chlorophenyl)-N-(5-methyl-1,2-oxazol-3-yl)butanamide
CID 47246136
N-methyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-3-(4-piperidin-1-ylsulfonylphenyl)propanamide
CID 46477648
2-amino-N-methyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]acetamide
CID 60947011
4-hydroxy-N-methyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]pentanamide
CID 79203580
2-[[2-(3-chloro-4-fluorophenoxy)acetyl]-methylamino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 134002588
N-[2-(4-chloroanilino)-2-oxoethyl]-N-methyl-3-phenylpropanamide
CID 4781646
3-(3,4-dimethylphenyl)sulfanyl-N-methyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]propanamide
CID 51267545
2-(4-chlorophenyl)-N-methyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-1,3-thiazole-4-carboxamide
CID 51267675
2-[(2-methoxyacetyl)-methylamino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 47126662
3-(cyclopropylamino)-N-methyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]propanamide
CID 60946463
3-(4-aminophenyl)-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 54905585
2-[[2-(3,4-difluorophenyl)sulfanylacetyl]-methylamino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 51267605

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-N-methyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]propanamide?
The IUPAC name of 3-(4-chlorophenyl)-N-methyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]propanamide (CID 46487182) is 3-(4-chlorophenyl)-N-methyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]propanamide.
What is the SMILES notation for 3-(4-chlorophenyl)-N-methyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]propanamide?
The canonical SMILES for 3-(4-chlorophenyl)-N-methyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]propanamide is Cc1cc(NC(=O)CN(C)C(=O)CCc2ccc(Cl)cc2)no1.
What is the InChIKey of 3-(4-chlorophenyl)-N-methyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]propanamide?
The InChIKey is AQJVBVWYCRYRLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClN3O3/c1-11-9-14(19-23-11)18-15(21)10-20(2)16(22)8-5-12-3-6-13(17)7-4-12/h3-4,6-7,9H,5,8,10H2,1-2H3,(H,18,19,21).
What are the key properties of 3-(4-chlorophenyl)-N-methyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]propanamide?
3-(4-chlorophenyl)-N-methyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]propanamide has a molecular weight of 335.79 g/mol, XLogP of 2.67, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-N-methyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]propanamide is sourced from PubChem (CID 46487182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).