2-(1,2-benzoxazol-3-ylamino)-2,3-dimethylbutanamide

C13H17N3O2 — CID 112738273

IUPAC2-(1,2-benzoxazol-3-ylamino)-2,3-dimethylbutanamide
SMILESCC(C)C(C)(Nc1noc2ccccc12)C(N)=O
InChIInChI=1S/C13H17N3O2/c1-8(2)13(3,12(14)17)15-11-9-6-4-5-7-10(9)18-16-11/h4-8H,1-3H3,(H2,14,17)(H,15,16)
InChIKeyZVTVEYWLIDCOBJ-UHFFFAOYSA-N
MW247.30 g/mol
LogP2.14
Rot. Bonds4

About 2-(1,2-benzoxazol-3-ylamino)-2,3-dimethylbutanamide

2-(1,2-benzoxazol-3-ylamino)-2,3-dimethylbutanamide (PubChem CID 112738273) has the molecular formula C13H17N3O2 and a molecular weight of 247.30 g/mol. Its IUPAC name is 2-(1,2-benzoxazol-3-ylamino)-2,3-dimethylbutanamide.

Molecular Properties

Compound Name2-(1,2-benzoxazol-3-ylamino)-2,3-dimethylbutanamide
PubChem CID112738273
Molecular FormulaC13H17N3O2
Molecular Weight247.30 g/mol
Exact Mass247.13
IUPAC Name2-(1,2-benzoxazol-3-ylamino)-2,3-dimethylbutanamide
SMILESCC(C)C(C)(Nc1noc2ccccc12)C(N)=O
InChIInChI=1S/C13H17N3O2/c1-8(2)13(3,12(14)17)15-11-9-6-4-5-7-10(9)18-16-11/h4-8H,1-3H3,(H2,14,17)(H,15,16)
InChIKeyZVTVEYWLIDCOBJ-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

2-(1,2-benzoxazol-3-ylamino)-2-methylpentanoic acid
CID 114265510
2-(1,2-benzoxazol-3-ylamino)propanoic acid
CID 69119449
2,2,2-trichloroethyl N-(1,2-benzoxazol-3-ylamino)carbamate
CID 174624892
N-(1,2-benzoxazol-3-yl)-2-methyl-N-(2-methylpropanoyl)propanamide
CID 58951502
1-(1,2-benzoxazol-3-yl)-3-propan-2-ylthiourea
CID 15983877
ethyl 2-(1,2-benzoxazol-3-ylcarbamothioylamino)propanoate
CID 15983624
4-(1,2-benzoxazol-3-ylamino)butanal
CID 18378943
1-(1,2-benzoxazol-3-yl)-3-(2-methylphenyl)sulfanylurea
CID 87435497
N-(1,2-benzoxazol-3-yl)-2-[4-[2-(tert-butylamino)-2-oxoethyl]piperazin-1-yl]acetamide
CID 169215787
2-[(6-chloro-5-propylpyrimidin-4-yl)amino]-2,3-dimethylbutanamide
CID 112738372
[(2R)-2-amino-3-(1,2-benzoxazol-3-yloxy)propyl] carbamate
CID 67733596
3-(1,2-benzoxazol-3-ylamino)-2-methylsulfanylbutan-1-ol
CID 113464432

Frequently Asked Questions

What is the IUPAC name of 2-(1,2-benzoxazol-3-ylamino)-2,3-dimethylbutanamide?
The IUPAC name of 2-(1,2-benzoxazol-3-ylamino)-2,3-dimethylbutanamide (CID 112738273) is 2-(1,2-benzoxazol-3-ylamino)-2,3-dimethylbutanamide.
What is the SMILES notation for 2-(1,2-benzoxazol-3-ylamino)-2,3-dimethylbutanamide?
The canonical SMILES for 2-(1,2-benzoxazol-3-ylamino)-2,3-dimethylbutanamide is CC(C)C(C)(Nc1noc2ccccc12)C(N)=O.
What is the InChIKey of 2-(1,2-benzoxazol-3-ylamino)-2,3-dimethylbutanamide?
The InChIKey is ZVTVEYWLIDCOBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2/c1-8(2)13(3,12(14)17)15-11-9-6-4-5-7-10(9)18-16-11/h4-8H,1-3H3,(H2,14,17)(H,15,16).
What are the key properties of 2-(1,2-benzoxazol-3-ylamino)-2,3-dimethylbutanamide?
2-(1,2-benzoxazol-3-ylamino)-2,3-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 2-(1,2-benzoxazol-3-ylamino)-2,3-dimethylbutanamide is sourced from PubChem (CID 112738273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).