2-amino-3-(2-methyl-1,3-benzoxazol-6-yl)propanamide

C11H13N3O2 — CID 116850890

IUPAC2-amino-3-(2-methyl-1,3-benzoxazol-6-yl)propanamide
SMILESCc1nc2ccc(CC(N)C(N)=O)cc2o1
InChIInChI=1S/C11H13N3O2/c1-6-14-9-3-2-7(5-10(9)16-6)4-8(12)11(13)15/h2-3,5,8H,4,12H2,1H3,(H2,13,15)
InChIKeyFWLACROWVHWCQY-UHFFFAOYSA-N
MW219.24 g/mol
LogP0.49
Rot. Bonds3

About 2-amino-3-(2-methyl-1,3-benzoxazol-6-yl)propanamide

2-amino-3-(2-methyl-1,3-benzoxazol-6-yl)propanamide (PubChem CID 116850890) has the molecular formula C11H13N3O2 and a molecular weight of 219.24 g/mol. Its IUPAC name is 2-amino-3-(2-methyl-1,3-benzoxazol-6-yl)propanamide.

Molecular Properties

Compound Name2-amino-3-(2-methyl-1,3-benzoxazol-6-yl)propanamide
PubChem CID116850890
Molecular FormulaC11H13N3O2
Molecular Weight219.24 g/mol
Exact Mass219.10
IUPAC Name2-amino-3-(2-methyl-1,3-benzoxazol-6-yl)propanamide
SMILESCc1nc2ccc(CC(N)C(N)=O)cc2o1
InChIInChI=1S/C11H13N3O2/c1-6-14-9-3-2-7(5-10(9)16-6)4-8(12)11(13)15/h2-3,5,8H,4,12H2,1H3,(H2,13,15)
InChIKeyFWLACROWVHWCQY-UHFFFAOYSA-N
XLogP0.49
TPSA95.14 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 ≤ 50.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-methyl-3-(2-methyl-1,3-benzoxazol-5-yl)propanehydrazide
CID 116849128
N-methyl-N-[(2-methyl-1,3-benzoxazol-6-yl)methyl]acetamide
CID 115191188
2-methyl-1,3-benzoxazole-6-carboxamide
CID 82490560
3-amino-4-[(2-methyl-1,3-benzoxazol-6-yl)methylamino]butanoic acid
CID 115241697
1,1,1-trifluoro-3-(2-methyl-1,3-benzoxazol-6-yl)propan-2-one
CID 167601007
1-[methyl-[2-(2-methyl-1,3-benzoxazol-6-yl)ethyl]amino]propan-2-one
CID 115235191
N-(3-amino-2-methylpropyl)-2-(2-methyl-1,3-benzoxazol-6-yl)acetamide
CID 115271704
6-(2-methyl-1,3-benzoxazol-6-yl)hexanoic acid
CID 98784268
(2R)-2-amino-N-(2-methyl-1,3-benzoxazol-6-yl)propanamide;dihydrochloride
CID 119842889
N-[2-(2-methyl-1,3-benzoxazol-6-yl)ethyl]propanamide
CID 110791037
1-methyl-3-[2-(2-methyl-1,3-benzoxazol-6-yl)ethyl]urea
CID 115169390
4-[(2-methyl-1,3-benzoxazol-6-yl)methylamino]butanoic acid
CID 115218629

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(2-methyl-1,3-benzoxazol-6-yl)propanamide?
The IUPAC name of 2-amino-3-(2-methyl-1,3-benzoxazol-6-yl)propanamide (CID 116850890) is 2-amino-3-(2-methyl-1,3-benzoxazol-6-yl)propanamide.
What is the SMILES notation for 2-amino-3-(2-methyl-1,3-benzoxazol-6-yl)propanamide?
The canonical SMILES for 2-amino-3-(2-methyl-1,3-benzoxazol-6-yl)propanamide is Cc1nc2ccc(CC(N)C(N)=O)cc2o1.
What is the InChIKey of 2-amino-3-(2-methyl-1,3-benzoxazol-6-yl)propanamide?
The InChIKey is FWLACROWVHWCQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O2/c1-6-14-9-3-2-7(5-10(9)16-6)4-8(12)11(13)15/h2-3,5,8H,4,12H2,1H3,(H2,13,15).
What are the key properties of 2-amino-3-(2-methyl-1,3-benzoxazol-6-yl)propanamide?
2-amino-3-(2-methyl-1,3-benzoxazol-6-yl)propanamide has a molecular weight of 219.24 g/mol, XLogP of 0.49, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(2-methyl-1,3-benzoxazol-6-yl)propanamide is sourced from PubChem (CID 116850890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).