4-(3-methoxyphenyl)-N-[2-(5-methyl-1,2-oxazol-3-yl)ethyl]-4-oxobutanamide

C17H20N2O4 — CID 110632475

IUPAC4-(3-methoxyphenyl)-N-[2-(5-methyl-1,2-oxazol-3-yl)ethyl]-4-oxobutanamide
SMILESCOc1cccc(C(=O)CCC(=O)NCCc2cc(C)on2)c1
InChIInChI=1S/C17H20N2O4/c1-12-10-14(19-23-12)8-9-18-17(21)7-6-16(20)13-4-3-5-15(11-13)22-2/h3-5,10-11H,6-9H2,1-2H3,(H,18,21)
InChIKeySXKMEKQZZJOQEI-UHFFFAOYSA-N
MW316.36 g/mol
LogP2.31
Rot. Bonds8

About 4-(3-methoxyphenyl)-N-[2-(5-methyl-1,2-oxazol-3-yl)ethyl]-4-oxobutanamide

4-(3-methoxyphenyl)-N-[2-(5-methyl-1,2-oxazol-3-yl)ethyl]-4-oxobutanamide (PubChem CID 110632475) has the molecular formula C17H20N2O4 and a molecular weight of 316.36 g/mol. Its IUPAC name is 4-(3-methoxyphenyl)-N-[2-(5-methyl-1,2-oxazol-3-yl)ethyl]-4-oxobutanamide.

Molecular Properties

Compound Name4-(3-methoxyphenyl)-N-[2-(5-methyl-1,2-oxazol-3-yl)ethyl]-4-oxobutanamide
PubChem CID110632475
Molecular FormulaC17H20N2O4
Molecular Weight316.36 g/mol
Exact Mass316.14
IUPAC Name4-(3-methoxyphenyl)-N-[2-(5-methyl-1,2-oxazol-3-yl)ethyl]-4-oxobutanamide
SMILESCOc1cccc(C(=O)CCC(=O)NCCc2cc(C)on2)c1
InChIInChI=1S/C17H20N2O4/c1-12-10-14(19-23-12)8-9-18-17(21)7-6-16(20)13-4-3-5-15(11-13)22-2/h3-5,10-11H,6-9H2,1-2H3,(H,18,21)
InChIKeySXKMEKQZZJOQEI-UHFFFAOYSA-N
XLogP2.31
TPSA81.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(3-methoxyphenyl)-N-[(5-methyl-1,2-oxazol-3-yl)methyl]propanamide
CID 47399076
N-[2-(cyclohexen-1-yl)ethyl]-4-(3-methoxyphenyl)-4-oxobutanamide
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N-[4-(2-fluorophenyl)butyl]-4-(3-methoxyphenyl)-4-oxobutanamide
CID 110607212
N-(2-anilino-2-oxoethyl)-4-(3-methoxyphenyl)-4-oxobutanamide
CID 110624279
N-[2-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]ethyl]-3-phenoxypropanamide
CID 110314807
N-ethyl-3-methoxy-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]benzamide
CID 814442
1-(6-methoxynaphthalen-2-yl)-3-[(5-methyl-1,2-oxazol-3-yl)amino]propan-1-one
CID 141228508
N-[2-[4-(dimethylamino)anilino]-2-oxoethyl]-4-(3-methoxyphenyl)-4-oxobutanamide
CID 110606227
4-methoxy-N-[2-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]ethyl]benzamide
CID 110314795
N-[2-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]ethyl]-3-methylbenzamide
CID 110314788
N-[2-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]ethyl]-2-phenylacetamide
CID 110314800
4-(4-methoxyphenyl)-4-oxo-N-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethyl]butanamide
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Frequently Asked Questions

What is the IUPAC name of 4-(3-methoxyphenyl)-N-[2-(5-methyl-1,2-oxazol-3-yl)ethyl]-4-oxobutanamide?
The IUPAC name of 4-(3-methoxyphenyl)-N-[2-(5-methyl-1,2-oxazol-3-yl)ethyl]-4-oxobutanamide (CID 110632475) is 4-(3-methoxyphenyl)-N-[2-(5-methyl-1,2-oxazol-3-yl)ethyl]-4-oxobutanamide.
What is the SMILES notation for 4-(3-methoxyphenyl)-N-[2-(5-methyl-1,2-oxazol-3-yl)ethyl]-4-oxobutanamide?
The canonical SMILES for 4-(3-methoxyphenyl)-N-[2-(5-methyl-1,2-oxazol-3-yl)ethyl]-4-oxobutanamide is COc1cccc(C(=O)CCC(=O)NCCc2cc(C)on2)c1.
What is the InChIKey of 4-(3-methoxyphenyl)-N-[2-(5-methyl-1,2-oxazol-3-yl)ethyl]-4-oxobutanamide?
The InChIKey is SXKMEKQZZJOQEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O4/c1-12-10-14(19-23-12)8-9-18-17(21)7-6-16(20)13-4-3-5-15(11-13)22-2/h3-5,10-11H,6-9H2,1-2H3,(H,18,21).
What are the key properties of 4-(3-methoxyphenyl)-N-[2-(5-methyl-1,2-oxazol-3-yl)ethyl]-4-oxobutanamide?
4-(3-methoxyphenyl)-N-[2-(5-methyl-1,2-oxazol-3-yl)ethyl]-4-oxobutanamide has a molecular weight of 316.36 g/mol, XLogP of 2.31, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methoxyphenyl)-N-[2-(5-methyl-1,2-oxazol-3-yl)ethyl]-4-oxobutanamide is sourced from PubChem (CID 110632475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).