N-(5-chloro-2-methylphenyl)-3-(1,3-oxazol-4-yl)propanamide

C13H13ClN2O2 — CID 110679070

IUPACN-(5-chloro-2-methylphenyl)-3-(1,3-oxazol-4-yl)propanamide
SMILESCc1ccc(Cl)cc1NC(=O)CCc1cocn1
InChIInChI=1S/C13H13ClN2O2/c1-9-2-3-10(14)6-12(9)16-13(17)5-4-11-7-18-8-15-11/h2-3,6-8H,4-5H2,1H3,(H,16,17)
InChIKeyHOXBMBOSZDWYNH-UHFFFAOYSA-N
MW264.71 g/mol
LogP3.21
Rot. Bonds4

About N-(5-chloro-2-methylphenyl)-3-(1,3-oxazol-4-yl)propanamide

N-(5-chloro-2-methylphenyl)-3-(1,3-oxazol-4-yl)propanamide (PubChem CID 110679070) has the molecular formula C13H13ClN2O2 and a molecular weight of 264.71 g/mol. Its IUPAC name is N-(5-chloro-2-methylphenyl)-3-(1,3-oxazol-4-yl)propanamide.

Molecular Properties

Compound NameN-(5-chloro-2-methylphenyl)-3-(1,3-oxazol-4-yl)propanamide
PubChem CID110679070
Molecular FormulaC13H13ClN2O2
Molecular Weight264.71 g/mol
Exact Mass264.07
IUPAC NameN-(5-chloro-2-methylphenyl)-3-(1,3-oxazol-4-yl)propanamide
SMILESCc1ccc(Cl)cc1NC(=O)CCc1cocn1
InChIInChI=1S/C13H13ClN2O2/c1-9-2-3-10(14)6-12(9)16-13(17)5-4-11-7-18-8-15-11/h2-3,6-8H,4-5H2,1H3,(H,16,17)
InChIKeyHOXBMBOSZDWYNH-UHFFFAOYSA-N
XLogP3.21
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.71
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(5-chloro-2-methylphenyl)-2-(1,3-oxazol-4-yl)acetamide
CID 110686353
N-(5-chloro-2-methylphenyl)-1,3-oxazole-4-carboxamide
CID 110689561
N-(2,3-dichlorophenyl)-3-(1,3-oxazol-4-yl)propanamide
CID 110679145
N-[2-(2,4-dichlorophenyl)ethyl]-3-(1,3-oxazol-4-yl)propanamide
CID 110679038
N-(2-methoxy-5-methylphenyl)-3-(1,3-oxazol-4-yl)propanamide
CID 110679084
N,N'-bis(5-chloro-2-methylphenyl)propanediamide
CID 1340673
N-(5-chloro-2-methylphenyl)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide
CID 17492812
N-(5-chloro-2-methylphenyl)-4-(methylamino)butanamide
CID 60841323
N-(5-chloro-2-methylphenyl)-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanamide
CID 51229815
N-(5-chloro-2-methylphenyl)decanamide
CID 5144260
N-(5-chloro-2-methylphenyl)-3-(dimethylsulfamoyl)propanamide
CID 110343380
N-(2,4-dichlorophenyl)-3-(2-methyl-1,3-oxazol-4-yl)propanamide
CID 110679355

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methylphenyl)-3-(1,3-oxazol-4-yl)propanamide?
The IUPAC name of N-(5-chloro-2-methylphenyl)-3-(1,3-oxazol-4-yl)propanamide (CID 110679070) is N-(5-chloro-2-methylphenyl)-3-(1,3-oxazol-4-yl)propanamide.
What is the SMILES notation for N-(5-chloro-2-methylphenyl)-3-(1,3-oxazol-4-yl)propanamide?
The canonical SMILES for N-(5-chloro-2-methylphenyl)-3-(1,3-oxazol-4-yl)propanamide is Cc1ccc(Cl)cc1NC(=O)CCc1cocn1.
What is the InChIKey of N-(5-chloro-2-methylphenyl)-3-(1,3-oxazol-4-yl)propanamide?
The InChIKey is HOXBMBOSZDWYNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN2O2/c1-9-2-3-10(14)6-12(9)16-13(17)5-4-11-7-18-8-15-11/h2-3,6-8H,4-5H2,1H3,(H,16,17).
What are the key properties of N-(5-chloro-2-methylphenyl)-3-(1,3-oxazol-4-yl)propanamide?
N-(5-chloro-2-methylphenyl)-3-(1,3-oxazol-4-yl)propanamide has a molecular weight of 264.71 g/mol, XLogP of 3.21, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-methylphenyl)-3-(1,3-oxazol-4-yl)propanamide is sourced from PubChem (CID 110679070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).