(2R)-2-(2-methoxy-5-methylanilino)-N-(5-methyl-1,2-oxazol-3-yl)butanamide

C16H21N3O3 — CID 30237362

IUPAC(2R)-2-(2-methoxy-5-methylanilino)-N-(5-methyl-1,2-oxazol-3-yl)butanamide
SMILESCC[C@@H](Nc1cc(C)ccc1OC)C(=O)Nc1cc(C)on1
InChIInChI=1S/C16H21N3O3/c1-5-12(16(20)18-15-9-11(3)22-19-15)17-13-8-10(2)6-7-14(13)21-4/h6-9,12,17H,5H2,1-4H3,(H,18,19,20)/t12-/m1/s1
InChIKeyYJPXEMQYKCOLPJ-GFCCVEGCSA-N
MW303.36 g/mol
LogP3.13
Rot. Bonds6

About (2R)-2-(2-methoxy-5-methylanilino)-N-(5-methyl-1,2-oxazol-3-yl)butanamide

(2R)-2-(2-methoxy-5-methylanilino)-N-(5-methyl-1,2-oxazol-3-yl)butanamide (PubChem CID 30237362) has the molecular formula C16H21N3O3 and a molecular weight of 303.36 g/mol. Its IUPAC name is (2R)-2-(2-methoxy-5-methylanilino)-N-(5-methyl-1,2-oxazol-3-yl)butanamide.

Molecular Properties

Compound Name(2R)-2-(2-methoxy-5-methylanilino)-N-(5-methyl-1,2-oxazol-3-yl)butanamide
PubChem CID30237362
Molecular FormulaC16H21N3O3
Molecular Weight303.36 g/mol
Exact Mass303.16
IUPAC Name(2R)-2-(2-methoxy-5-methylanilino)-N-(5-methyl-1,2-oxazol-3-yl)butanamide
SMILESCC[C@@H](Nc1cc(C)ccc1OC)C(=O)Nc1cc(C)on1
InChIInChI=1S/C16H21N3O3/c1-5-12(16(20)18-15-9-11(3)22-19-15)17-13-8-10(2)6-7-14(13)21-4/h6-9,12,17H,5H2,1-4H3,(H,18,19,20)/t12-/m1/s1
InChIKeyYJPXEMQYKCOLPJ-GFCCVEGCSA-N
XLogP3.13
TPSA76.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.36
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-methoxyanilino)-N-(5-methyl-1,2-oxazol-3-yl)butanamide
CID 17499493
(2S)-2-[[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]amino]-N-(5-methyl-1,2-oxazol-3-yl)butanamide
CID 35787670
N-(2-methoxy-5-methylphenyl)-N'-(5-methyl-1,2-oxazol-3-yl)propanediamide
CID 108955831
(2S)-2-(3,5-dimethylanilino)-N-(5-methyl-1,2-oxazol-3-yl)butanamide
CID 25355318
(2R)-2-(4-bromo-2-methylanilino)-N-(5-methyl-1,2-oxazol-3-yl)butanamide
CID 41016042
(2R)-2-(2-methoxy-4-methylphenoxy)-N-(5-methyl-1,2-oxazol-3-yl)-2-phenylacetamide
CID 40882138
1-[1-(2-methoxy-5-methylphenyl)ethyl]-3-(5-methyl-1,2-oxazol-3-yl)urea
CID 51264449
(2R)-2-[(2-methoxy-3-pyridinyl)methylamino]-N-(5-methyl-1,2-oxazol-3-yl)butanamide
CID 35623653
(2R)-2-(2,5-dimethoxyanilino)-N-(5-methyl-1,3,4-thiadiazol-2-yl)butanamide
CID 8562270
6-(2-methoxy-5-methylanilino)-2-methyl-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-4-carboxamide
CID 112850686
(2R)-2-[(2-methoxy-5-methylphenyl)methyl-methylamino]-N-(5-methyl-1,2-oxazol-3-yl)-2-phenylacetamide
CID 34714704
N-(5-methyl-1,2-oxazol-3-yl)-2-[4-(4-methylphenyl)phenoxy]butanamide
CID 24533971

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(2-methoxy-5-methylanilino)-N-(5-methyl-1,2-oxazol-3-yl)butanamide?
The IUPAC name of (2R)-2-(2-methoxy-5-methylanilino)-N-(5-methyl-1,2-oxazol-3-yl)butanamide (CID 30237362) is (2R)-2-(2-methoxy-5-methylanilino)-N-(5-methyl-1,2-oxazol-3-yl)butanamide.
What is the SMILES notation for (2R)-2-(2-methoxy-5-methylanilino)-N-(5-methyl-1,2-oxazol-3-yl)butanamide?
The canonical SMILES for (2R)-2-(2-methoxy-5-methylanilino)-N-(5-methyl-1,2-oxazol-3-yl)butanamide is CC[C@@H](Nc1cc(C)ccc1OC)C(=O)Nc1cc(C)on1.
What is the InChIKey of (2R)-2-(2-methoxy-5-methylanilino)-N-(5-methyl-1,2-oxazol-3-yl)butanamide?
The InChIKey is YJPXEMQYKCOLPJ-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H21N3O3/c1-5-12(16(20)18-15-9-11(3)22-19-15)17-13-8-10(2)6-7-14(13)21-4/h6-9,12,17H,5H2,1-4H3,(H,18,19,20)/t12-/m1/s1.
What are the key properties of (2R)-2-(2-methoxy-5-methylanilino)-N-(5-methyl-1,2-oxazol-3-yl)butanamide?
(2R)-2-(2-methoxy-5-methylanilino)-N-(5-methyl-1,2-oxazol-3-yl)butanamide has a molecular weight of 303.36 g/mol, XLogP of 3.13, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(2-methoxy-5-methylanilino)-N-(5-methyl-1,2-oxazol-3-yl)butanamide is sourced from PubChem (CID 30237362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).