N-(2,3-dimethylphenyl)-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide

C18H18N2O3 — CID 3163772

IUPACN-(2,3-dimethylphenyl)-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide
SMILESCc1cccc(NC(=O)CCn2c(=O)oc3ccccc32)c1C
InChIInChI=1S/C18H18N2O3/c1-12-6-5-7-14(13(12)2)19-17(21)10-11-20-15-8-3-4-9-16(15)23-18(20)22/h3-9H,10-11H2,1-2H3,(H,19,21)
InChIKeyBOEUBARHJXDGFK-UHFFFAOYSA-N
MW310.35 g/mol
LogP3.24
Rot. Bonds4

About N-(2,3-dimethylphenyl)-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide

N-(2,3-dimethylphenyl)-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide (PubChem CID 3163772) has the molecular formula C18H18N2O3 and a molecular weight of 310.35 g/mol. Its IUPAC name is N-(2,3-dimethylphenyl)-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide.

Molecular Properties

Compound NameN-(2,3-dimethylphenyl)-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide
PubChem CID3163772
Molecular FormulaC18H18N2O3
Molecular Weight310.35 g/mol
Exact Mass310.13
IUPAC NameN-(2,3-dimethylphenyl)-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide
SMILESCc1cccc(NC(=O)CCn2c(=O)oc3ccccc32)c1C
InChIInChI=1S/C18H18N2O3/c1-12-6-5-7-14(13(12)2)19-17(21)10-11-20-15-8-3-4-9-16(15)23-18(20)22/h3-9H,10-11H2,1-2H3,(H,19,21)
InChIKeyBOEUBARHJXDGFK-UHFFFAOYSA-N
XLogP3.24
TPSA64.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.35
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2-oxo-1,3-benzoxazol-3-yl)-N-(2-oxo-1H-pyridin-3-yl)propanamide
CID 51101208
N-(3-acetamido-2-methylphenyl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 134019204
N-(2,3-dimethylphenyl)-2-[4-[2-(2-oxo-1,3-benzoxazol-3-yl)acetyl]piperazin-1-yl]acetamide
CID 27859694
[2-[(2,3-dimethylphenyl)carbamoylamino]-2-oxoethyl] 2-(2-oxo-1,3-benzoxazol-3-yl)acetate
CID 27264387
N,N'-bis(2,3-dimethylphenyl)butanediamide
CID 4250073
N-(2-acetamido-5-chlorophenyl)-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide
CID 47086338
N-(4-methylsulfanylphenyl)-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide
CID 42370403
N-tert-butyl-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide
CID 51197823
3-(2-oxo-1,3-benzoxazol-3-yl)-N-[3-(phenylcarbamoylamino)phenyl]propanamide
CID 55504169
N-[4-(ethylsulfonylamino)-3-methylphenyl]-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide
CID 55947553
N-[2-(3-fluorophenoxy)phenyl]-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide
CID 55982987
N-(3,5-dimethoxyphenyl)-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide
CID 7992559

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethylphenyl)-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide?
The IUPAC name of N-(2,3-dimethylphenyl)-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide (CID 3163772) is N-(2,3-dimethylphenyl)-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide.
What is the SMILES notation for N-(2,3-dimethylphenyl)-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide?
The canonical SMILES for N-(2,3-dimethylphenyl)-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide is Cc1cccc(NC(=O)CCn2c(=O)oc3ccccc32)c1C.
What is the InChIKey of N-(2,3-dimethylphenyl)-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide?
The InChIKey is BOEUBARHJXDGFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O3/c1-12-6-5-7-14(13(12)2)19-17(21)10-11-20-15-8-3-4-9-16(15)23-18(20)22/h3-9H,10-11H2,1-2H3,(H,19,21).
What are the key properties of N-(2,3-dimethylphenyl)-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide?
N-(2,3-dimethylphenyl)-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide has a molecular weight of 310.35 g/mol, XLogP of 3.24, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dimethylphenyl)-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide is sourced from PubChem (CID 3163772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).