2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl-methylamino]-N-(4-methoxyphenyl)butanamide

C18H25N3O3 — CID 91842429

IUPAC2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl-methylamino]-N-(4-methoxyphenyl)butanamide
SMILESCCC(C(=O)Nc1ccc(OC)cc1)N(C)Cc1c(C)noc1C
InChIInChI=1S/C18H25N3O3/c1-6-17(21(4)11-16-12(2)20-24-13(16)3)18(22)19-14-7-9-15(23-5)10-8-14/h7-10,17H,6,11H2,1-5H3,(H,19,22)
InChIKeyRBCXDPMMUZXONK-UHFFFAOYSA-N
MW331.42 g/mol
LogP3.15
Rot. Bonds7

About 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl-methylamino]-N-(4-methoxyphenyl)butanamide

2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl-methylamino]-N-(4-methoxyphenyl)butanamide (PubChem CID 91842429) has the molecular formula C18H25N3O3 and a molecular weight of 331.42 g/mol. Its IUPAC name is 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl-methylamino]-N-(4-methoxyphenyl)butanamide.

Molecular Properties

Compound Name2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl-methylamino]-N-(4-methoxyphenyl)butanamide
PubChem CID91842429
Molecular FormulaC18H25N3O3
Molecular Weight331.42 g/mol
Exact Mass331.19
IUPAC Name2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl-methylamino]-N-(4-methoxyphenyl)butanamide
SMILESCCC(C(=O)Nc1ccc(OC)cc1)N(C)Cc1c(C)noc1C
InChIInChI=1S/C18H25N3O3/c1-6-17(21(4)11-16-12(2)20-24-13(16)3)18(22)19-14-7-9-15(23-5)10-8-14/h7-10,17H,6,11H2,1-5H3,(H,19,22)
InChIKeyRBCXDPMMUZXONK-UHFFFAOYSA-N
XLogP3.15
TPSA67.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-2-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-N-(4-methoxyphenyl)butanamide
CID 34714078
(2S)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-[(4-methoxyphenyl)sulfonylamino]-N-methylpropanamide
CID 55938250
(2S)-2-[2-(3,5-dimethylpyrazol-1-yl)ethyl-methylamino]-N-(4-methoxyphenyl)butanamide
CID 124758731
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[1-(4-methoxyphenyl)propyl]acetamide
CID 43027694
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-(4-methoxyphenyl)guanidine;hydroiodide
CID 119120488
4-[(4-methoxyphenoxy)methyl]-5-methyl-N-(4-propan-2-ylphenyl)-1,2-oxazole-3-carboxamide
CID 19443211
[2-(4-methoxyanilino)-2-oxo-1-phenylethyl] 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoate
CID 46675040
4-[(3,5-dimethylphenoxy)methyl]-N-(4-methoxyphenyl)-5-methyl-1,2-oxazole-3-carboxamide
CID 19444313
4-[(4-chlorophenoxy)methyl]-N-(4-methoxyphenyl)-5-methyl-1,2-oxazole-3-carboxamide
CID 19443709
(2R)-2-hydroxy-N-(4-methoxyphenyl)butanamide
CID 139626636
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(4-propan-2-yloxyphenyl)acetamide
CID 47044065
(2S)-2-[(3-ethyl-1,2-oxazol-5-yl)methyl-methylamino]-N-phenylbutanamide
CID 95144078

Frequently Asked Questions

What is the IUPAC name of 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl-methylamino]-N-(4-methoxyphenyl)butanamide?
The IUPAC name of 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl-methylamino]-N-(4-methoxyphenyl)butanamide (CID 91842429) is 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl-methylamino]-N-(4-methoxyphenyl)butanamide.
What is the SMILES notation for 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl-methylamino]-N-(4-methoxyphenyl)butanamide?
The canonical SMILES for 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl-methylamino]-N-(4-methoxyphenyl)butanamide is CCC(C(=O)Nc1ccc(OC)cc1)N(C)Cc1c(C)noc1C.
What is the InChIKey of 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl-methylamino]-N-(4-methoxyphenyl)butanamide?
The InChIKey is RBCXDPMMUZXONK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O3/c1-6-17(21(4)11-16-12(2)20-24-13(16)3)18(22)19-14-7-9-15(23-5)10-8-14/h7-10,17H,6,11H2,1-5H3,(H,19,22).
What are the key properties of 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl-methylamino]-N-(4-methoxyphenyl)butanamide?
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl-methylamino]-N-(4-methoxyphenyl)butanamide has a molecular weight of 331.42 g/mol, XLogP of 3.15, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl-methylamino]-N-(4-methoxyphenyl)butanamide is sourced from PubChem (CID 91842429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).