(2S)-2-(3,5-dimethylanilino)-N-(5-methyl-1,2-oxazol-3-yl)butanamide

C16H21N3O2 — CID 25355318

IUPAC(2S)-2-(3,5-dimethylanilino)-N-(5-methyl-1,2-oxazol-3-yl)butanamide
SMILESCC[C@H](Nc1cc(C)cc(C)c1)C(=O)Nc1cc(C)on1
InChIInChI=1S/C16H21N3O2/c1-5-14(16(20)18-15-9-12(4)21-19-15)17-13-7-10(2)6-11(3)8-13/h6-9,14,17H,5H2,1-4H3,(H,18,19,20)/t14-/m0/s1
InChIKeyIZHIXKNVLYFBJO-AWEZNQCLSA-N
MW287.36 g/mol
LogP3.43
Rot. Bonds5

About (2S)-2-(3,5-dimethylanilino)-N-(5-methyl-1,2-oxazol-3-yl)butanamide

(2S)-2-(3,5-dimethylanilino)-N-(5-methyl-1,2-oxazol-3-yl)butanamide (PubChem CID 25355318) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is (2S)-2-(3,5-dimethylanilino)-N-(5-methyl-1,2-oxazol-3-yl)butanamide.

Molecular Properties

Compound Name(2S)-2-(3,5-dimethylanilino)-N-(5-methyl-1,2-oxazol-3-yl)butanamide
PubChem CID25355318
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC Name(2S)-2-(3,5-dimethylanilino)-N-(5-methyl-1,2-oxazol-3-yl)butanamide
SMILESCC[C@H](Nc1cc(C)cc(C)c1)C(=O)Nc1cc(C)on1
InChIInChI=1S/C16H21N3O2/c1-5-14(16(20)18-15-9-12(4)21-19-15)17-13-7-10(2)6-11(3)8-13/h6-9,14,17H,5H2,1-4H3,(H,18,19,20)/t14-/m0/s1
InChIKeyIZHIXKNVLYFBJO-AWEZNQCLSA-N
XLogP3.43
TPSA67.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-(4-bromo-2-methylanilino)-N-(5-methyl-1,2-oxazol-3-yl)butanamide
CID 41016042
(2R)-2-(2-methoxy-5-methylanilino)-N-(5-methyl-1,2-oxazol-3-yl)butanamide
CID 30237362
N-[4-[[1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxobutan-2-yl]amino]phenyl]furan-2-carboxamide
CID 47018451
N-[4-[[(2S)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxobutan-2-yl]amino]phenyl]furan-2-carboxamide
CID 30756453
(2S)-N-(5-methyl-1,2-oxazol-3-yl)-2-[(1-phenylpyrazol-4-yl)amino]butanamide
CID 99856728
2-(2-methoxyanilino)-N-(5-methyl-1,2-oxazol-3-yl)butanamide
CID 17499493
(2S)-2-amino-N-(5-methyl-1,2-oxazol-3-yl)butanamide
CID 79024953
(2S)-2-methyl-N-(5-methyl-1,2-oxazol-3-yl)pentanamide
CID 670809
(2R)-2-[(4-acetamidophenyl)methylamino]-N-(5-methyl-1,2-oxazol-3-yl)butanamide
CID 32510370
(2R)-N-(5-methyl-1,2-oxazol-3-yl)-2-methylsulfanylbutanamide
CID 94031927
(2S)-N-(5-methyl-1,2-oxazol-3-yl)-2-(pyridin-2-ylmethylamino)butanamide
CID 35789320
2-[(E)-[2-(3,5-dimethylanilino)-2-oxoethylidene]amino]oxy-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 167906758

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(3,5-dimethylanilino)-N-(5-methyl-1,2-oxazol-3-yl)butanamide?
The IUPAC name of (2S)-2-(3,5-dimethylanilino)-N-(5-methyl-1,2-oxazol-3-yl)butanamide (CID 25355318) is (2S)-2-(3,5-dimethylanilino)-N-(5-methyl-1,2-oxazol-3-yl)butanamide.
What is the SMILES notation for (2S)-2-(3,5-dimethylanilino)-N-(5-methyl-1,2-oxazol-3-yl)butanamide?
The canonical SMILES for (2S)-2-(3,5-dimethylanilino)-N-(5-methyl-1,2-oxazol-3-yl)butanamide is CC[C@H](Nc1cc(C)cc(C)c1)C(=O)Nc1cc(C)on1.
What is the InChIKey of (2S)-2-(3,5-dimethylanilino)-N-(5-methyl-1,2-oxazol-3-yl)butanamide?
The InChIKey is IZHIXKNVLYFBJO-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-5-14(16(20)18-15-9-12(4)21-19-15)17-13-7-10(2)6-11(3)8-13/h6-9,14,17H,5H2,1-4H3,(H,18,19,20)/t14-/m0/s1.
What are the key properties of (2S)-2-(3,5-dimethylanilino)-N-(5-methyl-1,2-oxazol-3-yl)butanamide?
(2S)-2-(3,5-dimethylanilino)-N-(5-methyl-1,2-oxazol-3-yl)butanamide has a molecular weight of 287.36 g/mol, XLogP of 3.43, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(3,5-dimethylanilino)-N-(5-methyl-1,2-oxazol-3-yl)butanamide is sourced from PubChem (CID 25355318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).