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

C15H19N3O3 — CID 17499493

IUPAC2-(2-methoxyanilino)-N-(5-methyl-1,2-oxazol-3-yl)butanamide
SMILESCCC(Nc1ccccc1OC)C(=O)Nc1cc(C)on1
InChIInChI=1S/C15H19N3O3/c1-4-11(15(19)17-14-9-10(2)21-18-14)16-12-7-5-6-8-13(12)20-3/h5-9,11,16H,4H2,1-3H3,(H,17,18,19)
InChIKeyVJYDXEROKWBGQN-UHFFFAOYSA-N
MW289.34 g/mol
LogP2.82
Rot. Bonds6

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

2-(2-methoxyanilino)-N-(5-methyl-1,2-oxazol-3-yl)butanamide (PubChem CID 17499493) has the molecular formula C15H19N3O3 and a molecular weight of 289.34 g/mol. Its IUPAC name is 2-(2-methoxyanilino)-N-(5-methyl-1,2-oxazol-3-yl)butanamide.

Molecular Properties

Compound Name2-(2-methoxyanilino)-N-(5-methyl-1,2-oxazol-3-yl)butanamide
PubChem CID17499493
Molecular FormulaC15H19N3O3
Molecular Weight289.34 g/mol
Exact Mass289.14
IUPAC Name2-(2-methoxyanilino)-N-(5-methyl-1,2-oxazol-3-yl)butanamide
SMILESCCC(Nc1ccccc1OC)C(=O)Nc1cc(C)on1
InChIInChI=1S/C15H19N3O3/c1-4-11(15(19)17-14-9-10(2)21-18-14)16-12-7-5-6-8-13(12)20-3/h5-9,11,16H,4H2,1-3H3,(H,17,18,19)
InChIKeyVJYDXEROKWBGQN-UHFFFAOYSA-N
XLogP2.82
TPSA76.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-2-(2-methoxy-5-methylanilino)-N-(5-methyl-1,2-oxazol-3-yl)butanamide
CID 30237362
(2R)-2-(4-bromo-2-methylanilino)-N-(5-methyl-1,2-oxazol-3-yl)butanamide
CID 41016042
(2S)-2-(3,5-dimethylanilino)-N-(5-methyl-1,2-oxazol-3-yl)butanamide
CID 25355318
(2S)-2-[[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]amino]-N-(5-methyl-1,2-oxazol-3-yl)butanamide
CID 35787670
(2R)-2-[(2-methoxy-3-pyridinyl)methylamino]-N-(5-methyl-1,2-oxazol-3-yl)butanamide
CID 35623653
[(2S)-1-(2-methoxyanilino)-1-oxopropan-2-yl] 2-[(2S)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl]sulfanylacetate
CID 7952600
2-[4-(2-methoxyphenoxy)anilino]-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 17396421
(2R)-2-[4-(2-methoxyphenoxy)anilino]-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 41016115
2-(2-bromophenoxy)-N-(5-methyl-1,2-oxazol-3-yl)butanamide
CID 17425921
(2S)-N-(5-methyl-1,2-oxazol-3-yl)-2-[(1-phenylpyrazol-4-yl)amino]butanamide
CID 99856728
2-(4-ethoxy-3-methoxyanilino)-N-(5-methyl-1,2-oxazol-3-yl)-2-phenylacetamide
CID 17491956
[(2S)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxobutan-2-yl] 2-[(2-methoxybenzoyl)amino]acetate
CID 27352608

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyanilino)-N-(5-methyl-1,2-oxazol-3-yl)butanamide?
The IUPAC name of 2-(2-methoxyanilino)-N-(5-methyl-1,2-oxazol-3-yl)butanamide (CID 17499493) is 2-(2-methoxyanilino)-N-(5-methyl-1,2-oxazol-3-yl)butanamide.
What is the SMILES notation for 2-(2-methoxyanilino)-N-(5-methyl-1,2-oxazol-3-yl)butanamide?
The canonical SMILES for 2-(2-methoxyanilino)-N-(5-methyl-1,2-oxazol-3-yl)butanamide is CCC(Nc1ccccc1OC)C(=O)Nc1cc(C)on1.
What is the InChIKey of 2-(2-methoxyanilino)-N-(5-methyl-1,2-oxazol-3-yl)butanamide?
The InChIKey is VJYDXEROKWBGQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O3/c1-4-11(15(19)17-14-9-10(2)21-18-14)16-12-7-5-6-8-13(12)20-3/h5-9,11,16H,4H2,1-3H3,(H,17,18,19).
What are the key properties of 2-(2-methoxyanilino)-N-(5-methyl-1,2-oxazol-3-yl)butanamide?
2-(2-methoxyanilino)-N-(5-methyl-1,2-oxazol-3-yl)butanamide has a molecular weight of 289.34 g/mol, XLogP of 2.82, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyanilino)-N-(5-methyl-1,2-oxazol-3-yl)butanamide is sourced from PubChem (CID 17499493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).