3-amino-N-(1,3-benzoxazol-6-yl)-2-methylpropanamide

C11H13N3O2 — CID 115153507

IUPAC3-amino-N-(1,3-benzoxazol-6-yl)-2-methylpropanamide
SMILESCC(CN)C(=O)Nc1ccc2ncoc2c1
InChIInChI=1S/C11H13N3O2/c1-7(5-12)11(15)14-8-2-3-9-10(4-8)16-6-13-9/h2-4,6-7H,5,12H2,1H3,(H,14,15)
InChIKeyDYLXXAKNVJBRDF-UHFFFAOYSA-N
MW219.24 g/mol
LogP1.36
Rot. Bonds3

About 3-amino-N-(1,3-benzoxazol-6-yl)-2-methylpropanamide

3-amino-N-(1,3-benzoxazol-6-yl)-2-methylpropanamide (PubChem CID 115153507) has the molecular formula C11H13N3O2 and a molecular weight of 219.24 g/mol. Its IUPAC name is 3-amino-N-(1,3-benzoxazol-6-yl)-2-methylpropanamide.

Molecular Properties

Compound Name3-amino-N-(1,3-benzoxazol-6-yl)-2-methylpropanamide
PubChem CID115153507
Molecular FormulaC11H13N3O2
Molecular Weight219.24 g/mol
Exact Mass219.10
IUPAC Name3-amino-N-(1,3-benzoxazol-6-yl)-2-methylpropanamide
SMILESCC(CN)C(=O)Nc1ccc2ncoc2c1
InChIInChI=1S/C11H13N3O2/c1-7(5-12)11(15)14-8-2-3-9-10(4-8)16-6-13-9/h2-4,6-7H,5,12H2,1H3,(H,14,15)
InChIKeyDYLXXAKNVJBRDF-UHFFFAOYSA-N
XLogP1.36
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 ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1,3-benzoxazol-6-yl)acetamide
CID 54228397
1,3-benzoxazol-6-ylcarbamic acid
CID 115170663
4-amino-N-(1,3-benzoxazol-6-yl)-2,2-dimethylbutanamide
CID 115156904
N-(1,3-benzoxazol-6-yl)butanamide
CID 110728829
3-amino-N-(1,3-benzoxazol-6-yl)-3-methylbutanamide
CID 115154852
2-amino-4-(1,3-benzoxazol-6-ylamino)-4-oxobutanoic acid
CID 115180959
1-(1,3-benzoxazol-6-yl)-3-propylurea
CID 110748641
N-(1,3-benzoxazol-6-yl)-4-(methylamino)benzamide
CID 115161080
methyl 4-(1,3-benzoxazol-6-ylamino)-4-oxobutanoate
CID 110728836
N-(1,3-benzoxazol-6-yl)-1-cyanoformamide
CID 115171898
benzyl N-(1,3-benzoxazol-6-yl)carbamate
CID 110728886
2-amino-N-(1,3-benzoxazol-6-ylmethyl)propanamide
CID 115152399

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(1,3-benzoxazol-6-yl)-2-methylpropanamide?
The IUPAC name of 3-amino-N-(1,3-benzoxazol-6-yl)-2-methylpropanamide (CID 115153507) is 3-amino-N-(1,3-benzoxazol-6-yl)-2-methylpropanamide.
What is the SMILES notation for 3-amino-N-(1,3-benzoxazol-6-yl)-2-methylpropanamide?
The canonical SMILES for 3-amino-N-(1,3-benzoxazol-6-yl)-2-methylpropanamide is CC(CN)C(=O)Nc1ccc2ncoc2c1.
What is the InChIKey of 3-amino-N-(1,3-benzoxazol-6-yl)-2-methylpropanamide?
The InChIKey is DYLXXAKNVJBRDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O2/c1-7(5-12)11(15)14-8-2-3-9-10(4-8)16-6-13-9/h2-4,6-7H,5,12H2,1H3,(H,14,15).
What are the key properties of 3-amino-N-(1,3-benzoxazol-6-yl)-2-methylpropanamide?
3-amino-N-(1,3-benzoxazol-6-yl)-2-methylpropanamide has a molecular weight of 219.24 g/mol, XLogP of 1.36, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(1,3-benzoxazol-6-yl)-2-methylpropanamide is sourced from PubChem (CID 115153507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).