2-amino-N-(2-propan-2-yl-1,3-benzoxazol-5-yl)butanamide

C14H19N3O2 — CID 43711177

IUPAC2-amino-N-(2-propan-2-yl-1,3-benzoxazol-5-yl)butanamide
SMILESCCC(N)C(=O)Nc1ccc2oc(C(C)C)nc2c1
InChIInChI=1S/C14H19N3O2/c1-4-10(15)13(18)16-9-5-6-12-11(7-9)17-14(19-12)8(2)3/h5-8,10H,4,15H2,1-3H3,(H,16,18)
InChIKeyBTIPUAZRSCRWLS-UHFFFAOYSA-N
MW261.32 g/mol
LogP2.63
Rot. Bonds4

About 2-amino-N-(2-propan-2-yl-1,3-benzoxazol-5-yl)butanamide

2-amino-N-(2-propan-2-yl-1,3-benzoxazol-5-yl)butanamide (PubChem CID 43711177) has the molecular formula C14H19N3O2 and a molecular weight of 261.32 g/mol. Its IUPAC name is 2-amino-N-(2-propan-2-yl-1,3-benzoxazol-5-yl)butanamide.

Molecular Properties

Compound Name2-amino-N-(2-propan-2-yl-1,3-benzoxazol-5-yl)butanamide
PubChem CID43711177
Molecular FormulaC14H19N3O2
Molecular Weight261.32 g/mol
Exact Mass261.15
IUPAC Name2-amino-N-(2-propan-2-yl-1,3-benzoxazol-5-yl)butanamide
SMILESCCC(N)C(=O)Nc1ccc2oc(C(C)C)nc2c1
InChIInChI=1S/C14H19N3O2/c1-4-10(15)13(18)16-9-5-6-12-11(7-9)17-14(19-12)8(2)3/h5-8,10H,4,15H2,1-3H3,(H,16,18)
InChIKeyBTIPUAZRSCRWLS-UHFFFAOYSA-N
XLogP2.63
TPSA81.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-amino-N-(2-propan-2-yl-1,3-benzoxazol-5-yl)butanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-amino-4-oxo-4-[(2-propan-2-yl-1,3-benzoxazol-5-yl)amino]butanoic acid
CID 64895304
(2S,3S)-2-amino-3-methyl-N-(2-propan-2-yl-1,3-benzoxazol-5-yl)pentanamide
CID 61179344
2-(propan-2-ylamino)-N-(2-propan-2-yl-1,3-benzoxazol-5-yl)acetamide
CID 60843076
(2R)-N-carbamoyl-2-[(2-propan-2-yl-1,3-benzoxazol-5-yl)amino]propanamide
CID 34339582
2-amino-N-(2-ethyl-1,3-benzoxazol-5-yl)butanediamide;hydrochloride
CID 119956615
N-(2-propan-2-yl-1,3-benzoxazol-5-yl)imidazole-1-carboxamide
CID 81257574
(2S)-2-amino-N-(2-ethyl-1,3-benzoxazol-5-yl)propanamide;hydrochloride
CID 119290751
2-amino-N-(2-ethyl-1,3-benzoxazol-5-yl)-3-methylpentanamide
CID 60944281
2-ethoxy-N-(2-propan-2-yl-1,3-benzoxazol-5-yl)benzamide
CID 46401841
N-(2-propan-2-yl-1,3-benzoxazol-6-yl)propanamide
CID 53017044
3-acetamido-N-(2-propan-2-yl-1,3-benzoxazol-5-yl)benzamide
CID 46401870
2-amino-N-[2-(dimethylamino)-1,3-benzoxazol-5-yl]-3-methylpentanamide
CID 119893522

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(2-propan-2-yl-1,3-benzoxazol-5-yl)butanamide?
The IUPAC name of 2-amino-N-(2-propan-2-yl-1,3-benzoxazol-5-yl)butanamide (CID 43711177) is 2-amino-N-(2-propan-2-yl-1,3-benzoxazol-5-yl)butanamide.
What is the SMILES notation for 2-amino-N-(2-propan-2-yl-1,3-benzoxazol-5-yl)butanamide?
The canonical SMILES for 2-amino-N-(2-propan-2-yl-1,3-benzoxazol-5-yl)butanamide is CCC(N)C(=O)Nc1ccc2oc(C(C)C)nc2c1.
What is the InChIKey of 2-amino-N-(2-propan-2-yl-1,3-benzoxazol-5-yl)butanamide?
The InChIKey is BTIPUAZRSCRWLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2/c1-4-10(15)13(18)16-9-5-6-12-11(7-9)17-14(19-12)8(2)3/h5-8,10H,4,15H2,1-3H3,(H,16,18).
What are the key properties of 2-amino-N-(2-propan-2-yl-1,3-benzoxazol-5-yl)butanamide?
2-amino-N-(2-propan-2-yl-1,3-benzoxazol-5-yl)butanamide has a molecular weight of 261.32 g/mol, XLogP of 2.63, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(2-propan-2-yl-1,3-benzoxazol-5-yl)butanamide is sourced from PubChem (CID 43711177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).