4-(4-chlorophenyl)-N-(5-methyl-1,2-oxazol-3-yl)butanamide

C14H15ClN2O2 — CID 47246136

IUPAC4-(4-chlorophenyl)-N-(5-methyl-1,2-oxazol-3-yl)butanamide
SMILESCc1cc(NC(=O)CCCc2ccc(Cl)cc2)no1
InChIInChI=1S/C14H15ClN2O2/c1-10-9-13(17-19-10)16-14(18)4-2-3-11-5-7-12(15)8-6-11/h5-9H,2-4H2,1H3,(H,16,17,18)
InChIKeyWSUHLHCCYMOTBP-UHFFFAOYSA-N
MW278.74 g/mol
LogP3.60
Rot. Bonds5

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

4-(4-chlorophenyl)-N-(5-methyl-1,2-oxazol-3-yl)butanamide (PubChem CID 47246136) has the molecular formula C14H15ClN2O2 and a molecular weight of 278.74 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-N-(5-methyl-1,2-oxazol-3-yl)butanamide.

Molecular Properties

Compound Name4-(4-chlorophenyl)-N-(5-methyl-1,2-oxazol-3-yl)butanamide
PubChem CID47246136
Molecular FormulaC14H15ClN2O2
Molecular Weight278.74 g/mol
Exact Mass278.08
IUPAC Name4-(4-chlorophenyl)-N-(5-methyl-1,2-oxazol-3-yl)butanamide
SMILESCc1cc(NC(=O)CCCc2ccc(Cl)cc2)no1
InChIInChI=1S/C14H15ClN2O2/c1-10-9-13(17-19-10)16-14(18)4-2-3-11-5-7-12(15)8-6-11/h5-9H,2-4H2,1H3,(H,16,17,18)
InChIKeyWSUHLHCCYMOTBP-UHFFFAOYSA-N
XLogP3.60
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.74
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-chlorophenyl)-N-methyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]propanamide
CID 46487182
3-(4-aminophenyl)-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 54905585
4-[2-(4-chlorobenzoyl)hydrazinyl]-N-(5-methyl-1,2-oxazol-3-yl)-4-oxobutanamide
CID 3170438
6-chloro-N-(5-methyl-1,2-oxazol-3-yl)hexanamide
CID 2777055
5-chloro-N-(5-methyl-1,2-oxazol-3-yl)furan-2-carboxamide
CID 29494934
4-(4-chlorophenyl)-N-(2,4,6-trimethyl-3-pyridinyl)butanamide
CID 78888932
4-(2-chlorophenyl)-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]butanamide
CID 110614657
5-(4-fluorophenyl)-N-[(2S)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl]pentanamide
CID 110304419
2-[(4-chlorophenyl)sulfonylamino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 110370274
N-(5-methyl-1,2-oxazol-3-yl)-5-thiophen-2-ylpentanamide
CID 5234627
N-[(4-methoxyphenyl)methyl]-N'-(5-methyl-1,2-oxazol-3-yl)pentanediamide
CID 3153701
N-[2-(2,4-dichlorophenyl)ethyl]-N'-(5-methyl-1,2-oxazol-3-yl)propanediamide
CID 108952659

Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-N-(5-methyl-1,2-oxazol-3-yl)butanamide?
The IUPAC name of 4-(4-chlorophenyl)-N-(5-methyl-1,2-oxazol-3-yl)butanamide (CID 47246136) is 4-(4-chlorophenyl)-N-(5-methyl-1,2-oxazol-3-yl)butanamide.
What is the SMILES notation for 4-(4-chlorophenyl)-N-(5-methyl-1,2-oxazol-3-yl)butanamide?
The canonical SMILES for 4-(4-chlorophenyl)-N-(5-methyl-1,2-oxazol-3-yl)butanamide is Cc1cc(NC(=O)CCCc2ccc(Cl)cc2)no1.
What is the InChIKey of 4-(4-chlorophenyl)-N-(5-methyl-1,2-oxazol-3-yl)butanamide?
The InChIKey is WSUHLHCCYMOTBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2O2/c1-10-9-13(17-19-10)16-14(18)4-2-3-11-5-7-12(15)8-6-11/h5-9H,2-4H2,1H3,(H,16,17,18).
What are the key properties of 4-(4-chlorophenyl)-N-(5-methyl-1,2-oxazol-3-yl)butanamide?
4-(4-chlorophenyl)-N-(5-methyl-1,2-oxazol-3-yl)butanamide has a molecular weight of 278.74 g/mol, XLogP of 3.60, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-N-(5-methyl-1,2-oxazol-3-yl)butanamide is sourced from PubChem (CID 47246136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).