2-amino-N-(1,3-benzoxazol-6-ylmethyl)propanamide

C11H13N3O2 — CID 115152399

IUPAC2-amino-N-(1,3-benzoxazol-6-ylmethyl)propanamide
SMILESCC(N)C(=O)NCc1ccc2ncoc2c1
InChIInChI=1S/C11H13N3O2/c1-7(12)11(15)13-5-8-2-3-9-10(4-8)16-6-14-9/h2-4,6-7H,5,12H2,1H3,(H,13,15)
InChIKeyJQSXQZPNCMFOLD-UHFFFAOYSA-N
MW219.24 g/mol
LogP0.79
Rot. Bonds3

About 2-amino-N-(1,3-benzoxazol-6-ylmethyl)propanamide

2-amino-N-(1,3-benzoxazol-6-ylmethyl)propanamide (PubChem CID 115152399) has the molecular formula C11H13N3O2 and a molecular weight of 219.24 g/mol. Its IUPAC name is 2-amino-N-(1,3-benzoxazol-6-ylmethyl)propanamide.

Molecular Properties

Compound Name2-amino-N-(1,3-benzoxazol-6-ylmethyl)propanamide
PubChem CID115152399
Molecular FormulaC11H13N3O2
Molecular Weight219.24 g/mol
Exact Mass219.10
IUPAC Name2-amino-N-(1,3-benzoxazol-6-ylmethyl)propanamide
SMILESCC(N)C(=O)NCc1ccc2ncoc2c1
InChIInChI=1S/C11H13N3O2/c1-7(12)11(15)13-5-8-2-3-9-10(4-8)16-6-14-9/h2-4,6-7H,5,12H2,1H3,(H,13,15)
InChIKeyJQSXQZPNCMFOLD-UHFFFAOYSA-N
XLogP0.79
TPSA81.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.24
LogP ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1,3-benzoxazol-6-ylmethyl)butanamide
CID 110784925
1-(1,3-benzoxazol-6-ylmethyl)-3-tert-butylurea
CID 110775404
2-[(1,3-benzoxazol-6-ylmethylamino)methyl]-3-methylbutanoic acid
CID 115250335
3-amino-N-[2-(1,3-benzoxazol-6-yl)ethyl]butanamide
CID 115154356
1-N-(1,3-benzoxazol-6-ylmethyl)butane-1,3-diamine
CID 115199329
N-(1,3-benzoxazol-6-ylmethyl)-4-hydroxybutanamide
CID 115163001
N-[2-(1,3-benzoxazol-6-yl)ethyl]-3-methylbutanamide
CID 110790910
(2R)-2-amino-N-(1,3-benzodioxol-5-ylmethyl)propanamide
CID 78973204
(1,3-benzoxazol-6-ylmethylamino)methanol
CID 115229031
1-[2-(1,3-benzoxazol-6-yl)ethyl]-3-methylurea
CID 115169389
(2R)-2-amino-N-[(3,4-difluorophenyl)methyl]propanamide
CID 78973210
1-(1,3-benzoxazol-6-yl)-N-(chloromethyl)methanamine
CID 115263067

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(1,3-benzoxazol-6-ylmethyl)propanamide?
The IUPAC name of 2-amino-N-(1,3-benzoxazol-6-ylmethyl)propanamide (CID 115152399) is 2-amino-N-(1,3-benzoxazol-6-ylmethyl)propanamide.
What is the SMILES notation for 2-amino-N-(1,3-benzoxazol-6-ylmethyl)propanamide?
The canonical SMILES for 2-amino-N-(1,3-benzoxazol-6-ylmethyl)propanamide is CC(N)C(=O)NCc1ccc2ncoc2c1.
What is the InChIKey of 2-amino-N-(1,3-benzoxazol-6-ylmethyl)propanamide?
The InChIKey is JQSXQZPNCMFOLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O2/c1-7(12)11(15)13-5-8-2-3-9-10(4-8)16-6-14-9/h2-4,6-7H,5,12H2,1H3,(H,13,15).
What are the key properties of 2-amino-N-(1,3-benzoxazol-6-ylmethyl)propanamide?
2-amino-N-(1,3-benzoxazol-6-ylmethyl)propanamide has a molecular weight of 219.24 g/mol, XLogP of 0.79, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(1,3-benzoxazol-6-ylmethyl)propanamide is sourced from PubChem (CID 115152399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).