2-amino-N-(2-methyl-1,3-benzoxazol-5-yl)propanamide

C11H13N3O2 — CID 61274155

IUPAC2-amino-N-(2-methyl-1,3-benzoxazol-5-yl)propanamide
SMILESCc1nc2cc(NC(=O)C(C)N)ccc2o1
InChIInChI=1S/C11H13N3O2/c1-6(12)11(15)14-8-3-4-10-9(5-8)13-7(2)16-10/h3-6H,12H2,1-2H3,(H,14,15)
InChIKeyPTBWDUFEKSQIJI-UHFFFAOYSA-N
MW219.24 g/mol
LogP1.42
Rot. Bonds2

About 2-amino-N-(2-methyl-1,3-benzoxazol-5-yl)propanamide

2-amino-N-(2-methyl-1,3-benzoxazol-5-yl)propanamide (PubChem CID 61274155) has the molecular formula C11H13N3O2 and a molecular weight of 219.24 g/mol. Its IUPAC name is 2-amino-N-(2-methyl-1,3-benzoxazol-5-yl)propanamide.

Molecular Properties

Compound Name2-amino-N-(2-methyl-1,3-benzoxazol-5-yl)propanamide
PubChem CID61274155
Molecular FormulaC11H13N3O2
Molecular Weight219.24 g/mol
Exact Mass219.10
IUPAC Name2-amino-N-(2-methyl-1,3-benzoxazol-5-yl)propanamide
SMILESCc1nc2cc(NC(=O)C(C)N)ccc2o1
InChIInChI=1S/C11H13N3O2/c1-6(12)11(15)14-8-3-4-10-9(5-8)13-7(2)16-10/h3-6H,12H2,1-2H3,(H,14,15)
InChIKeyPTBWDUFEKSQIJI-UHFFFAOYSA-N
XLogP1.42
TPSA81.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.24
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-amino-3-methyl-N-(2-methyl-1,3-benzoxazol-5-yl)butanamide
CID 61274361
(2R)-2-amino-N-(2-methyl-1,3-benzoxazol-6-yl)propanamide;dihydrochloride
CID 119842889
3-amino-2-methyl-N-(2-methyl-1,3-benzoxazol-5-yl)butanamide;dihydrochloride
CID 120502568
2-bromo-N-(2-methyl-1,3-benzoxazol-5-yl)propanamide
CID 107903105
(2S)-2-amino-N-(2-ethyl-1,3-benzoxazol-5-yl)propanamide;hydrochloride
CID 119290751
2-amino-N-(2-methyl-1,3-benzoxazol-5-yl)acetamide
CID 61273973
2-amino-N-(2-methyl-1,3-benzoxazol-5-yl)-2-thiophen-2-ylacetamide
CID 115286986
(2S,3S)-2-(carbamoylamino)-3-methyl-N-(2-methyl-1,3-benzoxazol-5-yl)pentanamide
CID 39951551
(2R)-N-(4-methoxyphenyl)-2-[(2-methyl-1,3-benzoxazol-5-yl)amino]propanamide
CID 25349306
(2S)-2-[(2-methyl-1,3-benzoxazol-5-yl)amino]-N-(4-sulfamoylphenyl)propanamide
CID 25342725
(2S)-N-(3-fluorophenyl)-2-[(2-methyl-1,3-benzoxazol-5-yl)amino]propanamide
CID 25354769
(2R)-2-(4-bromophenoxy)-N-(2-methyl-1,3-benzoxazol-5-yl)propanamide
CID 25474142

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(2-methyl-1,3-benzoxazol-5-yl)propanamide?
The IUPAC name of 2-amino-N-(2-methyl-1,3-benzoxazol-5-yl)propanamide (CID 61274155) is 2-amino-N-(2-methyl-1,3-benzoxazol-5-yl)propanamide.
What is the SMILES notation for 2-amino-N-(2-methyl-1,3-benzoxazol-5-yl)propanamide?
The canonical SMILES for 2-amino-N-(2-methyl-1,3-benzoxazol-5-yl)propanamide is Cc1nc2cc(NC(=O)C(C)N)ccc2o1.
What is the InChIKey of 2-amino-N-(2-methyl-1,3-benzoxazol-5-yl)propanamide?
The InChIKey is PTBWDUFEKSQIJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O2/c1-6(12)11(15)14-8-3-4-10-9(5-8)13-7(2)16-10/h3-6H,12H2,1-2H3,(H,14,15).
What are the key properties of 2-amino-N-(2-methyl-1,3-benzoxazol-5-yl)propanamide?
2-amino-N-(2-methyl-1,3-benzoxazol-5-yl)propanamide has a molecular weight of 219.24 g/mol, XLogP of 1.42, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(2-methyl-1,3-benzoxazol-5-yl)propanamide is sourced from PubChem (CID 61274155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).