(2S)-2-[1,3-benzoxazol-2-yl(methyl)amino]-N-tert-butylpropanamide

C15H21N3O2 — CID 99787469

IUPAC(2S)-2-[1,3-benzoxazol-2-yl(methyl)amino]-N-tert-butylpropanamide
SMILESC[C@@H](C(=O)NC(C)(C)C)N(C)c1nc2ccccc2o1
InChIInChI=1S/C15H21N3O2/c1-10(13(19)17-15(2,3)4)18(5)14-16-11-8-6-7-9-12(11)20-14/h6-10H,1-5H3,(H,17,19)/t10-/m0/s1
InChIKeySWCFWUPWLBTCJJ-JTQLQIEISA-N
MW275.35 g/mol
LogP2.57
Rot. Bonds3

About (2S)-2-[1,3-benzoxazol-2-yl(methyl)amino]-N-tert-butylpropanamide

(2S)-2-[1,3-benzoxazol-2-yl(methyl)amino]-N-tert-butylpropanamide (PubChem CID 99787469) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is (2S)-2-[1,3-benzoxazol-2-yl(methyl)amino]-N-tert-butylpropanamide.

Molecular Properties

Compound Name(2S)-2-[1,3-benzoxazol-2-yl(methyl)amino]-N-tert-butylpropanamide
PubChem CID99787469
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC Name(2S)-2-[1,3-benzoxazol-2-yl(methyl)amino]-N-tert-butylpropanamide
SMILESC[C@@H](C(=O)NC(C)(C)C)N(C)c1nc2ccccc2o1
InChIInChI=1S/C15H21N3O2/c1-10(13(19)17-15(2,3)4)18(5)14-16-11-8-6-7-9-12(11)20-14/h6-10H,1-5H3,(H,17,19)/t10-/m0/s1
InChIKeySWCFWUPWLBTCJJ-JTQLQIEISA-N
XLogP2.57
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2S)-2-[1,3-benzoxazol-2-yl(methyl)amino]-N-tert-butylpropanamide 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

2-(1,3-benzoxazol-2-ylamino)-N-tert-butylacetamide
CID 36581358
N-iodo-N-methyl-1,3-benzoxazol-2-amine
CID 142874451
methyl 2-[[1-(tert-butylamino)-1-oxopropan-2-yl]-methylamino]benzoate
CID 62025985
N-tert-butyl-2-(quinoxalin-2-ylamino)propanamide
CID 115596829
3-(1,3-benzoxazol-2-ylamino)-3-methylbutan-2-ol
CID 115865807
2-[methyl-(5-methyl-1,3-benzoxazol-2-yl)amino]propanoic acid
CID 83841395
4-[2-[1,3-benzoxazol-2-yl(methyl)amino]propyl]phenol
CID 71853717
N-[1-(1,3-benzoxazol-2-yl)ethyl]-2,2-dimethylbutanamide
CID 110278975
2-[1-(1-benzofuran-2-yl)ethylamino]-N-tert-butylpropanamide
CID 115574060
3-[3-(1,3-benzoxazol-2-yl)prop-2-enoylamino]-3-methylbutanoic acid
CID 77058394
1-[1,3-benzoxazol-2-yl(methyl)amino]-3-methoxypropan-2-ol
CID 54979252
3-[1,3-benzoxazol-2-yl(methyl)amino]-N'-hydroxybutanimidamide
CID 63223801

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[1,3-benzoxazol-2-yl(methyl)amino]-N-tert-butylpropanamide?
The IUPAC name of (2S)-2-[1,3-benzoxazol-2-yl(methyl)amino]-N-tert-butylpropanamide (CID 99787469) is (2S)-2-[1,3-benzoxazol-2-yl(methyl)amino]-N-tert-butylpropanamide.
What is the SMILES notation for (2S)-2-[1,3-benzoxazol-2-yl(methyl)amino]-N-tert-butylpropanamide?
The canonical SMILES for (2S)-2-[1,3-benzoxazol-2-yl(methyl)amino]-N-tert-butylpropanamide is C[C@@H](C(=O)NC(C)(C)C)N(C)c1nc2ccccc2o1.
What is the InChIKey of (2S)-2-[1,3-benzoxazol-2-yl(methyl)amino]-N-tert-butylpropanamide?
The InChIKey is SWCFWUPWLBTCJJ-JTQLQIEISA-N. The full InChI is InChI=1S/C15H21N3O2/c1-10(13(19)17-15(2,3)4)18(5)14-16-11-8-6-7-9-12(11)20-14/h6-10H,1-5H3,(H,17,19)/t10-/m0/s1.
What are the key properties of (2S)-2-[1,3-benzoxazol-2-yl(methyl)amino]-N-tert-butylpropanamide?
(2S)-2-[1,3-benzoxazol-2-yl(methyl)amino]-N-tert-butylpropanamide has a molecular weight of 275.35 g/mol, XLogP of 2.57, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[1,3-benzoxazol-2-yl(methyl)amino]-N-tert-butylpropanamide is sourced from PubChem (CID 99787469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).