(2R)-N-ethyl-2-[3-(2-oxo-1,3-benzoxazol-3-yl)propanoylamino]propanamide

C15H19N3O4 — CID 8756933

IUPAC(2R)-N-ethyl-2-[3-(2-oxo-1,3-benzoxazol-3-yl)propanoylamino]propanamide
SMILESCCNC(=O)[C@@H](C)NC(=O)CCn1c(=O)oc2ccccc21
InChIInChI=1S/C15H19N3O4/c1-3-16-14(20)10(2)17-13(19)8-9-18-11-6-4-5-7-12(11)22-15(18)21/h4-7,10H,3,8-9H2,1-2H3,(H,16,20)(H,17,19)/t10-/m1/s1
InChIKeyKODDDEPQCVRUEA-SNVBAGLBSA-N
MW305.33 g/mol
LogP0.63
Rot. Bonds6

About (2R)-N-ethyl-2-[3-(2-oxo-1,3-benzoxazol-3-yl)propanoylamino]propanamide

(2R)-N-ethyl-2-[3-(2-oxo-1,3-benzoxazol-3-yl)propanoylamino]propanamide (PubChem CID 8756933) has the molecular formula C15H19N3O4 and a molecular weight of 305.33 g/mol. Its IUPAC name is (2R)-N-ethyl-2-[3-(2-oxo-1,3-benzoxazol-3-yl)propanoylamino]propanamide.

Molecular Properties

Compound Name(2R)-N-ethyl-2-[3-(2-oxo-1,3-benzoxazol-3-yl)propanoylamino]propanamide
PubChem CID8756933
Molecular FormulaC15H19N3O4
Molecular Weight305.33 g/mol
Exact Mass305.14
IUPAC Name(2R)-N-ethyl-2-[3-(2-oxo-1,3-benzoxazol-3-yl)propanoylamino]propanamide
SMILESCCNC(=O)[C@@H](C)NC(=O)CCn1c(=O)oc2ccccc21
InChIInChI=1S/C15H19N3O4/c1-3-16-14(20)10(2)17-13(19)8-9-18-11-6-4-5-7-12(11)22-15(18)21/h4-7,10H,3,8-9H2,1-2H3,(H,16,20)(H,17,19)/t10-/m1/s1
InChIKeyKODDDEPQCVRUEA-SNVBAGLBSA-N
XLogP0.63
TPSA93.34 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.33
LogP ≤ 50.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-2-[3-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)propanoylamino]-N-ethylpropanamide
CID 9470712
[2-oxo-2-[[(2R)-1-oxo-1-(propylamino)propan-2-yl]amino]ethyl] 3-(2-oxo-1,3-benzoxazol-3-yl)propanoate
CID 8645953
3-(2-oxo-1,3-benzoxazol-3-yl)-N-[(2S)-4-phenylbutan-2-yl]propanamide
CID 7105736
N-heptan-2-yl-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide
CID 51197900
N-(2-methyl-1-phenylpropyl)-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide
CID 51213975
N-[2-(methylamino)propyl]-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide
CID 120828743
3-(2-oxo-1,3-benzoxazol-3-yl)-N-[(1R)-1-thiophen-2-ylethyl]propanamide
CID 27990293
N-[2-methyl-1-(4-propan-2-ylphenyl)propyl]-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide
CID 16563622
N-(dicyclopropylmethyl)-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide
CID 24620743
N-tert-butyl-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide
CID 51197823
N-[1-(3,4-difluorophenyl)ethyl]-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide
CID 17413824
N-(2-aminoethyl)-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide
CID 82344583

Frequently Asked Questions

What is the IUPAC name of (2R)-N-ethyl-2-[3-(2-oxo-1,3-benzoxazol-3-yl)propanoylamino]propanamide?
The IUPAC name of (2R)-N-ethyl-2-[3-(2-oxo-1,3-benzoxazol-3-yl)propanoylamino]propanamide (CID 8756933) is (2R)-N-ethyl-2-[3-(2-oxo-1,3-benzoxazol-3-yl)propanoylamino]propanamide.
What is the SMILES notation for (2R)-N-ethyl-2-[3-(2-oxo-1,3-benzoxazol-3-yl)propanoylamino]propanamide?
The canonical SMILES for (2R)-N-ethyl-2-[3-(2-oxo-1,3-benzoxazol-3-yl)propanoylamino]propanamide is CCNC(=O)[C@@H](C)NC(=O)CCn1c(=O)oc2ccccc21.
What is the InChIKey of (2R)-N-ethyl-2-[3-(2-oxo-1,3-benzoxazol-3-yl)propanoylamino]propanamide?
The InChIKey is KODDDEPQCVRUEA-SNVBAGLBSA-N. The full InChI is InChI=1S/C15H19N3O4/c1-3-16-14(20)10(2)17-13(19)8-9-18-11-6-4-5-7-12(11)22-15(18)21/h4-7,10H,3,8-9H2,1-2H3,(H,16,20)(H,17,19)/t10-/m1/s1.
What are the key properties of (2R)-N-ethyl-2-[3-(2-oxo-1,3-benzoxazol-3-yl)propanoylamino]propanamide?
(2R)-N-ethyl-2-[3-(2-oxo-1,3-benzoxazol-3-yl)propanoylamino]propanamide has a molecular weight of 305.33 g/mol, XLogP of 0.63, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-ethyl-2-[3-(2-oxo-1,3-benzoxazol-3-yl)propanoylamino]propanamide is sourced from PubChem (CID 8756933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).