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

C12H14N2O3 — CID 60601414

IUPACN-ethyl-2-(2-oxo-1,3-benzoxazol-3-yl)propanamide
SMILESCCNC(=O)C(C)n1c(=O)oc2ccccc21
InChIInChI=1S/C12H14N2O3/c1-3-13-11(15)8(2)14-9-6-4-5-7-10(9)17-12(14)16/h4-8H,3H2,1-2H3,(H,13,15)
InChIKeyVAMLYSHGOXLHFC-UHFFFAOYSA-N
MW234.25 g/mol
LogP1.29
Rot. Bonds3

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

N-ethyl-2-(2-oxo-1,3-benzoxazol-3-yl)propanamide (PubChem CID 60601414) has the molecular formula C12H14N2O3 and a molecular weight of 234.25 g/mol. Its IUPAC name is N-ethyl-2-(2-oxo-1,3-benzoxazol-3-yl)propanamide.

Molecular Properties

Compound NameN-ethyl-2-(2-oxo-1,3-benzoxazol-3-yl)propanamide
PubChem CID60601414
Molecular FormulaC12H14N2O3
Molecular Weight234.25 g/mol
Exact Mass234.10
IUPAC NameN-ethyl-2-(2-oxo-1,3-benzoxazol-3-yl)propanamide
SMILESCCNC(=O)C(C)n1c(=O)oc2ccccc21
InChIInChI=1S/C12H14N2O3/c1-3-13-11(15)8(2)14-9-6-4-5-7-10(9)17-12(14)16/h4-8H,3H2,1-2H3,(H,13,15)
InChIKeyVAMLYSHGOXLHFC-UHFFFAOYSA-N
XLogP1.29
TPSA64.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.25
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-(2-oxo-1,3-benzoxazol-3-yl)-N-(2,2,2-trifluoroethyl)propanamide
CID 95165771
N-(4-ethylphenyl)-2-(2-oxo-1,3-benzoxazol-3-yl)propanamide
CID 18886763
N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-2-(2-oxo-1,3-benzoxazol-3-yl)propanamide
CID 119063791
N-[(1-methylbenzimidazol-2-yl)methyl]-2-(2-oxo-1,3-benzoxazol-3-yl)propanamide
CID 24611150
2-(2-oxo-1,3-benzoxazol-3-yl)-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]propanamide
CID 134036586
N-[[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]methyl]-2-(2-oxo-1,3-benzoxazol-3-yl)propanamide
CID 55746512
(2S)-2-(2-oxo-1,3-benzoxazol-3-yl)-N-[3-[(1S)-1-phenylethoxy]propyl]propanamide
CID 51649204
N-[2-(4-chlorophenoxy)ethyl]-2-(2-oxo-1,3-benzoxazol-3-yl)propanamide
CID 134006814
N-[3-(benzimidazol-1-yl)propyl]-2-(2-oxo-1,3-benzoxazol-3-yl)propanamide
CID 75866987
N-[4-(cyanomethyl)phenyl]-2-(2-oxo-1,3-benzoxazol-3-yl)propanamide
CID 24611025
N-[[2-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]-2-(2-oxo-1,3-benzoxazol-3-yl)propanamide
CID 55710464
(2S)-2-(2-oxo-1,3-benzoxazol-3-yl)-N-[2-(2-oxo-1,3-oxazinan-3-yl)ethyl]propanamide
CID 126444906

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(2-oxo-1,3-benzoxazol-3-yl)propanamide?
The IUPAC name of N-ethyl-2-(2-oxo-1,3-benzoxazol-3-yl)propanamide (CID 60601414) is N-ethyl-2-(2-oxo-1,3-benzoxazol-3-yl)propanamide.
What is the SMILES notation for N-ethyl-2-(2-oxo-1,3-benzoxazol-3-yl)propanamide?
The canonical SMILES for N-ethyl-2-(2-oxo-1,3-benzoxazol-3-yl)propanamide is CCNC(=O)C(C)n1c(=O)oc2ccccc21.
What is the InChIKey of N-ethyl-2-(2-oxo-1,3-benzoxazol-3-yl)propanamide?
The InChIKey is VAMLYSHGOXLHFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O3/c1-3-13-11(15)8(2)14-9-6-4-5-7-10(9)17-12(14)16/h4-8H,3H2,1-2H3,(H,13,15).
What are the key properties of N-ethyl-2-(2-oxo-1,3-benzoxazol-3-yl)propanamide?
N-ethyl-2-(2-oxo-1,3-benzoxazol-3-yl)propanamide has a molecular weight of 234.25 g/mol, XLogP of 1.29, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(2-oxo-1,3-benzoxazol-3-yl)propanamide is sourced from PubChem (CID 60601414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).