2-amino-3-methyl-N-(2-oxo-3H-1,3-benzoxazol-5-yl)pentanamide

C13H17N3O3 — CID 43710375

IUPAC2-amino-3-methyl-N-(2-oxo-3H-1,3-benzoxazol-5-yl)pentanamide
SMILESCCC(C)C(N)C(=O)Nc1ccc2oc(=O)[nH]c2c1
InChIInChI=1S/C13H17N3O3/c1-3-7(2)11(14)12(17)15-8-4-5-10-9(6-8)16-13(18)19-10/h4-7,11H,3,14H2,1-2H3,(H,15,17)(H,16,18)
InChIKeyZBNJWWGHOHWFQJ-UHFFFAOYSA-N
MW263.30 g/mol
LogP1.43
Rot. Bonds4

About 2-amino-3-methyl-N-(2-oxo-3H-1,3-benzoxazol-5-yl)pentanamide

2-amino-3-methyl-N-(2-oxo-3H-1,3-benzoxazol-5-yl)pentanamide (PubChem CID 43710375) has the molecular formula C13H17N3O3 and a molecular weight of 263.30 g/mol. Its IUPAC name is 2-amino-3-methyl-N-(2-oxo-3H-1,3-benzoxazol-5-yl)pentanamide.

Molecular Properties

Compound Name2-amino-3-methyl-N-(2-oxo-3H-1,3-benzoxazol-5-yl)pentanamide
PubChem CID43710375
Molecular FormulaC13H17N3O3
Molecular Weight263.30 g/mol
Exact Mass263.13
IUPAC Name2-amino-3-methyl-N-(2-oxo-3H-1,3-benzoxazol-5-yl)pentanamide
SMILESCCC(C)C(N)C(=O)Nc1ccc2oc(=O)[nH]c2c1
InChIInChI=1S/C13H17N3O3/c1-3-7(2)11(14)12(17)15-8-4-5-10-9(6-8)16-13(18)19-10/h4-7,11H,3,14H2,1-2H3,(H,15,17)(H,16,18)
InChIKeyZBNJWWGHOHWFQJ-UHFFFAOYSA-N
XLogP1.43
TPSA101.12 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 51.43
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
(2R)-2-amino-N-(2-oxo-3H-1,3-benzoxazol-5-yl)propanamide
CID 78972326
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
(2S)-2-amino-N-(2-oxo-3H-1,3-benzoxazol-5-yl)-2-phenylacetamide
CID 104897322
(2R)-N-(2-ethoxyphenyl)-2-[(2-oxo-3H-1,3-benzoxazol-5-yl)amino]propanamide
CID 95570799
(2S)-2-amino-N-(1,3-dioxoisoindol-5-yl)-3-methylpentanamide
CID 61174389
N-(2-oxo-3H-1,3-benzoxazol-5-yl)-2-(2-propan-2-yloxyphenyl)acetamide
CID 166190370
2-amino-4-oxo-4-[(2-oxo-3H-1,3-benzoxazol-5-yl)amino]butanoic acid
CID 115180967
ethyl 2-oxo-2-[(2-oxo-3H-1,3-benzoxazol-6-yl)amino]acetate
CID 53304199
methyl 4-oxo-4-[(2-oxo-3H-1,3-benzoxazol-5-yl)amino]butanoate
CID 47157162

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-methyl-N-(2-oxo-3H-1,3-benzoxazol-5-yl)pentanamide?
The IUPAC name of 2-amino-3-methyl-N-(2-oxo-3H-1,3-benzoxazol-5-yl)pentanamide (CID 43710375) is 2-amino-3-methyl-N-(2-oxo-3H-1,3-benzoxazol-5-yl)pentanamide.
What is the SMILES notation for 2-amino-3-methyl-N-(2-oxo-3H-1,3-benzoxazol-5-yl)pentanamide?
The canonical SMILES for 2-amino-3-methyl-N-(2-oxo-3H-1,3-benzoxazol-5-yl)pentanamide is CCC(C)C(N)C(=O)Nc1ccc2oc(=O)[nH]c2c1.
What is the InChIKey of 2-amino-3-methyl-N-(2-oxo-3H-1,3-benzoxazol-5-yl)pentanamide?
The InChIKey is ZBNJWWGHOHWFQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O3/c1-3-7(2)11(14)12(17)15-8-4-5-10-9(6-8)16-13(18)19-10/h4-7,11H,3,14H2,1-2H3,(H,15,17)(H,16,18).
What are the key properties of 2-amino-3-methyl-N-(2-oxo-3H-1,3-benzoxazol-5-yl)pentanamide?
2-amino-3-methyl-N-(2-oxo-3H-1,3-benzoxazol-5-yl)pentanamide has a molecular weight of 263.30 g/mol, XLogP of 1.43, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-methyl-N-(2-oxo-3H-1,3-benzoxazol-5-yl)pentanamide is sourced from PubChem (CID 43710375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).