4-[5-(4-ethoxyphenyl)-1,2-oxazol-3-yl]-N-(furan-2-ylmethyl)butanamide

C20H22N2O4 — CID 5309268

IUPAC4-[5-(4-ethoxyphenyl)-1,2-oxazol-3-yl]-N-(furan-2-ylmethyl)butanamide
SMILESCCOc1ccc(-c2cc(CCCC(=O)NCc3ccco3)no2)cc1
InChIInChI=1S/C20H22N2O4/c1-2-24-17-10-8-15(9-11-17)19-13-16(22-26-19)5-3-7-20(23)21-14-18-6-4-12-25-18/h4,6,8-13H,2-3,5,7,14H2,1H3,(H,21,23)
InChIKeyGMUGQJUPADBXAC-UHFFFAOYSA-N
MW354.41 g/mol
LogP3.97
Rot. Bonds9

About 4-[5-(4-ethoxyphenyl)-1,2-oxazol-3-yl]-N-(furan-2-ylmethyl)butanamide

4-[5-(4-ethoxyphenyl)-1,2-oxazol-3-yl]-N-(furan-2-ylmethyl)butanamide (PubChem CID 5309268) has the molecular formula C20H22N2O4 and a molecular weight of 354.41 g/mol. Its IUPAC name is 4-[5-(4-ethoxyphenyl)-1,2-oxazol-3-yl]-N-(furan-2-ylmethyl)butanamide.

Molecular Properties

Compound Name4-[5-(4-ethoxyphenyl)-1,2-oxazol-3-yl]-N-(furan-2-ylmethyl)butanamide
PubChem CID5309268
Molecular FormulaC20H22N2O4
Molecular Weight354.41 g/mol
Exact Mass354.16
IUPAC Name4-[5-(4-ethoxyphenyl)-1,2-oxazol-3-yl]-N-(furan-2-ylmethyl)butanamide
SMILESCCOc1ccc(-c2cc(CCCC(=O)NCc3ccco3)no2)cc1
InChIInChI=1S/C20H22N2O4/c1-2-24-17-10-8-15(9-11-17)19-13-16(22-26-19)5-3-7-20(23)21-14-18-6-4-12-25-18/h4,6,8-13H,2-3,5,7,14H2,1H3,(H,21,23)
InChIKeyGMUGQJUPADBXAC-UHFFFAOYSA-N
XLogP3.97
TPSA77.50 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-(5-acetyl-2-ethoxyphenyl)-5-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]furan-2-carboxamide
CID 134812728
N-(furan-2-ylmethyl)-5-methyl-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide
CID 16193473
N-(furan-2-ylmethyl)-5-phenyl-1,2-oxazole-3-carboxamide
CID 973870
N-cyclopentyl-5-(4-methoxyphenyl)-1,2-oxazole-3-carboxamide
CID 6619102
N-(furan-2-ylmethyl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
CID 822408
4-[5-(4-ethoxyphenyl)isoxazol-3-yl]-N-(3-methoxypropyl)butanamide
CID 3242918
N-(2,5-dimethoxyphenyl)-4-[5-(4-ethoxyphenyl)-1,2-oxazol-3-yl]butanamide
CID 3243514
4-[5-(4-ethoxyphenyl)-3-isoxazolyl]-N-[(4-methylphenyl)methyl]butanamide
CID 11957211
N-[2-(3,4-diethoxyphenyl)ethyl]-4-[5-(4-ethoxyphenyl)-1,2-oxazol-3-yl]butanamide
CID 16009106
5-(4-methoxyphenyl)-N-(2-methylpropyl)-1,2-oxazole-3-carboxamide
CID 3240709
N-benzyl-5-(furan-2-yl)-1,2-oxazole-3-carboxamide
CID 3241359
5-(furan-2-yl)-N-(2-phenylethyl)-1,2-oxazole-3-carboxamide
CID 3245765

Frequently Asked Questions

What is the IUPAC name of 4-[5-(4-ethoxyphenyl)-1,2-oxazol-3-yl]-N-(furan-2-ylmethyl)butanamide?
The IUPAC name of 4-[5-(4-ethoxyphenyl)-1,2-oxazol-3-yl]-N-(furan-2-ylmethyl)butanamide (CID 5309268) is 4-[5-(4-ethoxyphenyl)-1,2-oxazol-3-yl]-N-(furan-2-ylmethyl)butanamide.
What is the SMILES notation for 4-[5-(4-ethoxyphenyl)-1,2-oxazol-3-yl]-N-(furan-2-ylmethyl)butanamide?
The canonical SMILES for 4-[5-(4-ethoxyphenyl)-1,2-oxazol-3-yl]-N-(furan-2-ylmethyl)butanamide is CCOc1ccc(-c2cc(CCCC(=O)NCc3ccco3)no2)cc1.
What is the InChIKey of 4-[5-(4-ethoxyphenyl)-1,2-oxazol-3-yl]-N-(furan-2-ylmethyl)butanamide?
The InChIKey is GMUGQJUPADBXAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O4/c1-2-24-17-10-8-15(9-11-17)19-13-16(22-26-19)5-3-7-20(23)21-14-18-6-4-12-25-18/h4,6,8-13H,2-3,5,7,14H2,1H3,(H,21,23).
What are the key properties of 4-[5-(4-ethoxyphenyl)-1,2-oxazol-3-yl]-N-(furan-2-ylmethyl)butanamide?
4-[5-(4-ethoxyphenyl)-1,2-oxazol-3-yl]-N-(furan-2-ylmethyl)butanamide has a molecular weight of 354.41 g/mol, XLogP of 3.97, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(4-ethoxyphenyl)-1,2-oxazol-3-yl]-N-(furan-2-ylmethyl)butanamide is sourced from PubChem (CID 5309268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).