N-(4-ethylphenyl)-2-(2-oxo-1,3-benzoxazol-3-yl)propanamide

C18H18N2O3 — CID 18886763

IUPACN-(4-ethylphenyl)-2-(2-oxo-1,3-benzoxazol-3-yl)propanamide
SMILESCCc1ccc(NC(=O)C(C)n2c(=O)oc3ccccc32)cc1
InChIInChI=1S/C18H18N2O3/c1-3-13-8-10-14(11-9-13)19-17(21)12(2)20-15-6-4-5-7-16(15)23-18(20)22/h4-12H,3H2,1-2H3,(H,19,21)
InChIKeyJTSIUPFUFHAHCQ-UHFFFAOYSA-N
MW310.35 g/mol
LogP3.36
Rot. Bonds4

About N-(4-ethylphenyl)-2-(2-oxo-1,3-benzoxazol-3-yl)propanamide

N-(4-ethylphenyl)-2-(2-oxo-1,3-benzoxazol-3-yl)propanamide (PubChem CID 18886763) has the molecular formula C18H18N2O3 and a molecular weight of 310.35 g/mol. Its IUPAC name is N-(4-ethylphenyl)-2-(2-oxo-1,3-benzoxazol-3-yl)propanamide.

Molecular Properties

Compound NameN-(4-ethylphenyl)-2-(2-oxo-1,3-benzoxazol-3-yl)propanamide
PubChem CID18886763
Molecular FormulaC18H18N2O3
Molecular Weight310.35 g/mol
Exact Mass310.13
IUPAC NameN-(4-ethylphenyl)-2-(2-oxo-1,3-benzoxazol-3-yl)propanamide
SMILESCCc1ccc(NC(=O)C(C)n2c(=O)oc3ccccc32)cc1
InChIInChI=1S/C18H18N2O3/c1-3-13-8-10-14(11-9-13)19-17(21)12(2)20-15-6-4-5-7-16(15)23-18(20)22/h4-12H,3H2,1-2H3,(H,19,21)
InChIKeyJTSIUPFUFHAHCQ-UHFFFAOYSA-N
XLogP3.36
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 ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(cyanomethyl)phenyl]-2-(2-oxo-1,3-benzoxazol-3-yl)propanamide
CID 24611025
N-(4-acetylphenyl)-2-(2-oxo-1,3-benzoxazol-3-yl)propanamide
CID 18886772
N-ethyl-2-(2-oxo-1,3-benzoxazol-3-yl)propanamide
CID 60601414
[1-(4-ethylanilino)-1-oxopropan-2-yl] 3-(2-oxo-1,3-benzoxazol-3-yl)propanoate
CID 46819770
methyl 3-[2-(2-oxo-1,3-benzoxazol-3-yl)propanoylamino]benzoate
CID 24608479
(2S)-N-(4-cyclopentylsulfanylphenyl)-2-(2-oxo-1,3-benzoxazol-3-yl)propanamide
CID 37400112
N-(4-morpholin-2-ylphenyl)-2-(2-oxo-1,3-benzoxazol-3-yl)propanamide
CID 167846132
(2S)-N'-[2-(4-chlorophenyl)acetyl]-2-(2-oxo-1,3-benzoxazol-3-yl)propanehydrazide
CID 26041420
(2S)-2-(2-oxo-1,3-benzoxazol-3-yl)-N-(2,2,2-trifluoroethyl)propanamide
CID 95165771
N-[[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]methyl]-2-(2-oxo-1,3-benzoxazol-3-yl)propanamide
CID 55746512
ethyl 4-methyl-2-[2-(2-oxo-1,3-benzoxazol-3-yl)propanoylamino]-5-(phenylcarbamoyl)thiophene-3-carboxylate
CID 166199665
(2R)-N-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-2-(2-oxo-1,3-benzoxazol-3-yl)propanamide
CID 99773500

Frequently Asked Questions

What is the IUPAC name of N-(4-ethylphenyl)-2-(2-oxo-1,3-benzoxazol-3-yl)propanamide?
The IUPAC name of N-(4-ethylphenyl)-2-(2-oxo-1,3-benzoxazol-3-yl)propanamide (CID 18886763) is N-(4-ethylphenyl)-2-(2-oxo-1,3-benzoxazol-3-yl)propanamide.
What is the SMILES notation for N-(4-ethylphenyl)-2-(2-oxo-1,3-benzoxazol-3-yl)propanamide?
The canonical SMILES for N-(4-ethylphenyl)-2-(2-oxo-1,3-benzoxazol-3-yl)propanamide is CCc1ccc(NC(=O)C(C)n2c(=O)oc3ccccc32)cc1.
What is the InChIKey of N-(4-ethylphenyl)-2-(2-oxo-1,3-benzoxazol-3-yl)propanamide?
The InChIKey is JTSIUPFUFHAHCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O3/c1-3-13-8-10-14(11-9-13)19-17(21)12(2)20-15-6-4-5-7-16(15)23-18(20)22/h4-12H,3H2,1-2H3,(H,19,21).
What are the key properties of N-(4-ethylphenyl)-2-(2-oxo-1,3-benzoxazol-3-yl)propanamide?
N-(4-ethylphenyl)-2-(2-oxo-1,3-benzoxazol-3-yl)propanamide has a molecular weight of 310.35 g/mol, XLogP of 3.36, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethylphenyl)-2-(2-oxo-1,3-benzoxazol-3-yl)propanamide is sourced from PubChem (CID 18886763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).