5-[[3-(4-ethylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-3H-1,3,4-oxadiazol-2-one

C14H15N3O4 — CID 177383233

IUPAC5-[[3-(4-ethylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-3H-1,3,4-oxadiazol-2-one
SMILESCCc1ccc(N2CC(Cc3n[nH]c(=O)o3)OC2=O)cc1
InChIInChI=1S/C14H15N3O4/c1-2-9-3-5-10(6-4-9)17-8-11(20-14(17)19)7-12-15-16-13(18)21-12/h3-6,11H,2,7-8H2,1H3,(H,16,18)
InChIKeyGPDVDHDWEKSEJN-UHFFFAOYSA-N
MW289.29 g/mol
LogP1.49
Rot. Bonds4

About 5-[[3-(4-ethylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-3H-1,3,4-oxadiazol-2-one

5-[[3-(4-ethylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-3H-1,3,4-oxadiazol-2-one (PubChem CID 177383233) has the molecular formula C14H15N3O4 and a molecular weight of 289.29 g/mol. Its IUPAC name is 5-[[3-(4-ethylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-3H-1,3,4-oxadiazol-2-one.

Molecular Properties

Compound Name5-[[3-(4-ethylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-3H-1,3,4-oxadiazol-2-one
PubChem CID177383233
Molecular FormulaC14H15N3O4
Molecular Weight289.29 g/mol
Exact Mass289.11
IUPAC Name5-[[3-(4-ethylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-3H-1,3,4-oxadiazol-2-one
SMILESCCc1ccc(N2CC(Cc3n[nH]c(=O)o3)OC2=O)cc1
InChIInChI=1S/C14H15N3O4/c1-2-9-3-5-10(6-4-9)17-8-11(20-14(17)19)7-12-15-16-13(18)21-12/h3-6,11H,2,7-8H2,1H3,(H,16,18)
InChIKeyGPDVDHDWEKSEJN-UHFFFAOYSA-N
XLogP1.49
TPSA88.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.29
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-[[3-(4-ethylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-3H-1,3,4-oxadiazol-2-one with MolForge

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Related Compounds

5-[[3-(4-ethoxyphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-3H-1,3,4-oxadiazol-2-one
CID 177383234
N-[[3-(4-ethylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-4-fluorobenzenesulfonamide
CID 110328213
N-[[3-(4-ethylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-3-methylbutanamide
CID 110328161
N-[[3-(4-chlorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-4-ethylbenzenesulfonamide
CID 110327987
5-benzyl-3-phenyl-1,3-oxazolidin-2-one
CID 21393580
N-[[3-(4-ethylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]thiophene-2-sulfonamide
CID 110328218
(5S)-5-ethyl-3-[4-(4-ethylphenyl)-3-fluorophenyl]-1,3-oxazolidin-2-one
CID 59264706
5-benzyl-3-(4-hydroxyphenyl)-1,3-oxazolidin-2-one
CID 54588510
N-[[(5R)-3-[4-(hydroxymethyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 54472628
N-[[(5R)-3-(4-butylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 54256476
(5S)-5-(bromomethyl)-3-(4-methylphenyl)-1,3-oxazolidin-2-one
CID 95564147
5-(bromomethyl)-3-(4-fluorophenyl)-1,3-oxazolidin-2-one
CID 51000280

Frequently Asked Questions

What is the IUPAC name of 5-[[3-(4-ethylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-3H-1,3,4-oxadiazol-2-one?
The IUPAC name of 5-[[3-(4-ethylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-3H-1,3,4-oxadiazol-2-one (CID 177383233) is 5-[[3-(4-ethylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-3H-1,3,4-oxadiazol-2-one.
What is the SMILES notation for 5-[[3-(4-ethylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-3H-1,3,4-oxadiazol-2-one?
The canonical SMILES for 5-[[3-(4-ethylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-3H-1,3,4-oxadiazol-2-one is CCc1ccc(N2CC(Cc3n[nH]c(=O)o3)OC2=O)cc1.
What is the InChIKey of 5-[[3-(4-ethylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-3H-1,3,4-oxadiazol-2-one?
The InChIKey is GPDVDHDWEKSEJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O4/c1-2-9-3-5-10(6-4-9)17-8-11(20-14(17)19)7-12-15-16-13(18)21-12/h3-6,11H,2,7-8H2,1H3,(H,16,18).
What are the key properties of 5-[[3-(4-ethylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-3H-1,3,4-oxadiazol-2-one?
5-[[3-(4-ethylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-3H-1,3,4-oxadiazol-2-one has a molecular weight of 289.29 g/mol, XLogP of 1.49, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[3-(4-ethylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-3H-1,3,4-oxadiazol-2-one is sourced from PubChem (CID 177383233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).