(2R)-2-amino-N-(2-oxo-3H-1,3-benzoxazol-5-yl)propanamide

C10H11N3O3 — CID 78972326

IUPAC(2R)-2-amino-N-(2-oxo-3H-1,3-benzoxazol-5-yl)propanamide
SMILESC[C@@H](N)C(=O)Nc1ccc2oc(=O)[nH]c2c1
InChIInChI=1S/C10H11N3O3/c1-5(11)9(14)12-6-2-3-8-7(4-6)13-10(15)16-8/h2-5H,11H2,1H3,(H,12,14)(H,13,15)/t5-/m1/s1
InChIKeyONMULPGKMVCVHN-RXMQYKEDSA-N
MW221.22 g/mol
LogP0.41
Rot. Bonds2

About (2R)-2-amino-N-(2-oxo-3H-1,3-benzoxazol-5-yl)propanamide

(2R)-2-amino-N-(2-oxo-3H-1,3-benzoxazol-5-yl)propanamide (PubChem CID 78972326) has the molecular formula C10H11N3O3 and a molecular weight of 221.22 g/mol. Its IUPAC name is (2R)-2-amino-N-(2-oxo-3H-1,3-benzoxazol-5-yl)propanamide.

Molecular Properties

Compound Name(2R)-2-amino-N-(2-oxo-3H-1,3-benzoxazol-5-yl)propanamide
PubChem CID78972326
Molecular FormulaC10H11N3O3
Molecular Weight221.22 g/mol
Exact Mass221.08
IUPAC Name(2R)-2-amino-N-(2-oxo-3H-1,3-benzoxazol-5-yl)propanamide
SMILESC[C@@H](N)C(=O)Nc1ccc2oc(=O)[nH]c2c1
InChIInChI=1S/C10H11N3O3/c1-5(11)9(14)12-6-2-3-8-7(4-6)13-10(15)16-8/h2-5H,11H2,1H3,(H,12,14)(H,13,15)/t5-/m1/s1
InChIKeyONMULPGKMVCVHN-RXMQYKEDSA-N
XLogP0.41
TPSA101.12 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.22
LogP ≤ 50.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-3-methyl-N-(2-oxo-3H-1,3-benzoxazol-5-yl)butanamide
CID 43710360
2-amino-3-methyl-N-(2-oxo-3H-1,3-benzoxazol-5-yl)pentanamide
CID 43710375
(2S)-2-amino-N-(2-oxo-3H-1,3-benzoxazol-5-yl)-2-phenylacetamide
CID 104897322
2-(hydroxymethyl)-N-(2-oxo-3H-1,3-benzoxazol-5-yl)butanamide
CID 115186381
2-(aminomethyl)-N-(2-oxo-3H-1,3-benzoxazol-5-yl)pentanamide
CID 65225120
(2S)-2-amino-4-methylsulfanyl-N-(2-oxo-3H-1,3-benzoxazol-5-yl)butanamide;hydrochloride
CID 119281841
2-amino-N-(2-oxo-3H-1,3-benzoxazol-5-yl)-2-thiophen-2-ylacetamide
CID 115286345
4-methyl-N-[3-methyl-1-oxo-1-[(2-oxo-3H-1,3-benzoxazol-5-yl)amino]butan-2-yl]benzamide
CID 134019693
2-amino-4-oxo-4-[(2-oxo-3H-1,3-benzoxazol-5-yl)amino]butanoic acid
CID 115180967
3-methyl-N-(2-oxo-3H-1,3-benzoxazol-5-yl)-2-[(2-phenylacetyl)amino]butanamide
CID 134019800
(2R)-2-(1-methylidene-3-oxoisoindol-2-yl)-N-(2-oxo-3H-1,3-benzoxazol-5-yl)propanamide
CID 38468072
2-amino-3-oxo-3-[(2-oxo-3H-1,3-benzoxazol-6-yl)amino]propanoic acid
CID 115179135

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-N-(2-oxo-3H-1,3-benzoxazol-5-yl)propanamide?
The IUPAC name of (2R)-2-amino-N-(2-oxo-3H-1,3-benzoxazol-5-yl)propanamide (CID 78972326) is (2R)-2-amino-N-(2-oxo-3H-1,3-benzoxazol-5-yl)propanamide.
What is the SMILES notation for (2R)-2-amino-N-(2-oxo-3H-1,3-benzoxazol-5-yl)propanamide?
The canonical SMILES for (2R)-2-amino-N-(2-oxo-3H-1,3-benzoxazol-5-yl)propanamide is C[C@@H](N)C(=O)Nc1ccc2oc(=O)[nH]c2c1.
What is the InChIKey of (2R)-2-amino-N-(2-oxo-3H-1,3-benzoxazol-5-yl)propanamide?
The InChIKey is ONMULPGKMVCVHN-RXMQYKEDSA-N. The full InChI is InChI=1S/C10H11N3O3/c1-5(11)9(14)12-6-2-3-8-7(4-6)13-10(15)16-8/h2-5H,11H2,1H3,(H,12,14)(H,13,15)/t5-/m1/s1.
What are the key properties of (2R)-2-amino-N-(2-oxo-3H-1,3-benzoxazol-5-yl)propanamide?
(2R)-2-amino-N-(2-oxo-3H-1,3-benzoxazol-5-yl)propanamide has a molecular weight of 221.22 g/mol, XLogP of 0.41, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-N-(2-oxo-3H-1,3-benzoxazol-5-yl)propanamide is sourced from PubChem (CID 78972326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).