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

C13H17N3O2 — CID 115156904

IUPAC4-amino-N-(1,3-benzoxazol-6-yl)-2,2-dimethylbutanamide
SMILESCC(C)(CCN)C(=O)Nc1ccc2ncoc2c1
InChIInChI=1S/C13H17N3O2/c1-13(2,5-6-14)12(17)16-9-3-4-10-11(7-9)18-8-15-10/h3-4,7-8H,5-6,14H2,1-2H3,(H,16,17)
InChIKeyRLNSLBFOKSJUJG-UHFFFAOYSA-N
MW247.30 g/mol
LogP2.14
Rot. Bonds4

About 4-amino-N-(1,3-benzoxazol-6-yl)-2,2-dimethylbutanamide

4-amino-N-(1,3-benzoxazol-6-yl)-2,2-dimethylbutanamide (PubChem CID 115156904) has the molecular formula C13H17N3O2 and a molecular weight of 247.30 g/mol. Its IUPAC name is 4-amino-N-(1,3-benzoxazol-6-yl)-2,2-dimethylbutanamide.

Molecular Properties

Compound Name4-amino-N-(1,3-benzoxazol-6-yl)-2,2-dimethylbutanamide
PubChem CID115156904
Molecular FormulaC13H17N3O2
Molecular Weight247.30 g/mol
Exact Mass247.13
IUPAC Name4-amino-N-(1,3-benzoxazol-6-yl)-2,2-dimethylbutanamide
SMILESCC(C)(CCN)C(=O)Nc1ccc2ncoc2c1
InChIInChI=1S/C13H17N3O2/c1-13(2,5-6-14)12(17)16-9-3-4-10-11(7-9)18-8-15-10/h3-4,7-8H,5-6,14H2,1-2H3,(H,16,17)
InChIKeyRLNSLBFOKSJUJG-UHFFFAOYSA-N
XLogP2.14
TPSA81.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-N-(1,3-benzoxazol-6-yl)-3-methylbutanamide
CID 115154852
N-(1,3-benzoxazol-6-yl)acetamide
CID 54228397
3-amino-N-(1,3-benzoxazol-6-yl)-2-methylpropanamide
CID 115153507
1,3-benzoxazol-6-ylcarbamic acid
CID 115170663
N-(1,3-benzoxazol-6-yl)butanamide
CID 110728829
1-(1,3-benzoxazol-6-yl)-3-propylurea
CID 110748641
4-amino-2,2-dimethyl-N-(2-methyl-3H-benzimidazol-5-yl)butanamide
CID 115156908
N-(1,3-benzoxazol-6-yl)-4-(methylamino)benzamide
CID 115161080
4-[(1,3-benzoxazol-6-ylamino)methyl]benzoic acid
CID 115221838
methyl 4-(1,3-benzoxazol-6-ylamino)-4-oxobutanoate
CID 110728836
2-amino-4-(1,3-benzoxazol-6-ylamino)-4-oxobutanoic acid
CID 115180959
N-(1,3-benzoxazol-6-yl)-5-chloro-2-hydroxybenzamide
CID 175430925

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(1,3-benzoxazol-6-yl)-2,2-dimethylbutanamide?
The IUPAC name of 4-amino-N-(1,3-benzoxazol-6-yl)-2,2-dimethylbutanamide (CID 115156904) is 4-amino-N-(1,3-benzoxazol-6-yl)-2,2-dimethylbutanamide.
What is the SMILES notation for 4-amino-N-(1,3-benzoxazol-6-yl)-2,2-dimethylbutanamide?
The canonical SMILES for 4-amino-N-(1,3-benzoxazol-6-yl)-2,2-dimethylbutanamide is CC(C)(CCN)C(=O)Nc1ccc2ncoc2c1.
What is the InChIKey of 4-amino-N-(1,3-benzoxazol-6-yl)-2,2-dimethylbutanamide?
The InChIKey is RLNSLBFOKSJUJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2/c1-13(2,5-6-14)12(17)16-9-3-4-10-11(7-9)18-8-15-10/h3-4,7-8H,5-6,14H2,1-2H3,(H,16,17).
What are the key properties of 4-amino-N-(1,3-benzoxazol-6-yl)-2,2-dimethylbutanamide?
4-amino-N-(1,3-benzoxazol-6-yl)-2,2-dimethylbutanamide has a molecular weight of 247.30 g/mol, XLogP of 2.14, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(1,3-benzoxazol-6-yl)-2,2-dimethylbutanamide is sourced from PubChem (CID 115156904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).