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

C14H15N3O5 — CID 177383234

IUPAC5-[[3-(4-ethoxyphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-3H-1,3,4-oxadiazol-2-one
SMILESCCOc1ccc(N2CC(Cc3n[nH]c(=O)o3)OC2=O)cc1
InChIInChI=1S/C14H15N3O5/c1-2-20-10-5-3-9(4-6-10)17-8-11(21-14(17)19)7-12-15-16-13(18)22-12/h3-6,11H,2,7-8H2,1H3,(H,16,18)
InChIKeySCPYTBHSHDNITR-UHFFFAOYSA-N
MW305.29 g/mol
LogP1.33
Rot. Bonds5

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

5-[[3-(4-ethoxyphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-3H-1,3,4-oxadiazol-2-one (PubChem CID 177383234) has the molecular formula C14H15N3O5 and a molecular weight of 305.29 g/mol. Its IUPAC name is 5-[[3-(4-ethoxyphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-3H-1,3,4-oxadiazol-2-one.

Molecular Properties

Compound Name5-[[3-(4-ethoxyphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-3H-1,3,4-oxadiazol-2-one
PubChem CID177383234
Molecular FormulaC14H15N3O5
Molecular Weight305.29 g/mol
Exact Mass305.10
IUPAC Name5-[[3-(4-ethoxyphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-3H-1,3,4-oxadiazol-2-one
SMILESCCOc1ccc(N2CC(Cc3n[nH]c(=O)o3)OC2=O)cc1
InChIInChI=1S/C14H15N3O5/c1-2-20-10-5-3-9(4-6-10)17-8-11(21-14(17)19)7-12-15-16-13(18)22-12/h3-6,11H,2,7-8H2,1H3,(H,16,18)
InChIKeySCPYTBHSHDNITR-UHFFFAOYSA-N
XLogP1.33
TPSA97.66 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.29
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5-[[3-(4-ethoxyphenyl)-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-ethylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-3H-1,3,4-oxadiazol-2-one
CID 177383233
[(5S)-3-(4-ethoxyphenyl)-2-oxo-1,3-oxazolidin-5-yl]methylthiourea
CID 139799629
2-(4-methylphenoxy)-N-[[3-(4-methylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 16920637
3-(4-chlorophenyl)-5-[(4-methylphenoxy)methyl]-1,3-oxazolidin-2-one
CID 629049
5-[2-[4-(1,3-benzodioxol-5-yl)piperidin-1-yl]ethyl]-3-(4-ethoxyphenyl)-1,3-oxazolidin-2-one
CID 15158346
(5R)-3-(4-ethoxyphenyl)-5-[[(5-fluoro-11-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12),9-tetraen-3-yl)methylamino]methyl]-1,3-oxazolidin-2-one
CID 45380697
N-[[3-(4-methoxyphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-2-(4-methylphenoxy)acetamide
CID 16921393
4-ethoxy-N-[[3-(3-methylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]benzenesulfonamide
CID 110327854
N-[[(5R)-3-(4-fluorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-2-(4-propan-2-ylphenoxy)acetamide
CID 40925353
1-(4-ethoxyphenyl)-4-methylpiperazine-2,3-dione
CID 117026421
5-[(4-butylphenoxy)methyl]-3-(4-hydroxyphenyl)-1,3-oxazolidin-2-one
CID 139671317
ethyl 2-[[3-(4-methoxyphenyl)-2-oxo-1,3-oxazolidin-5-yl]methylamino]-2-oxoacetate
CID 16921319

Frequently Asked Questions

What is the IUPAC name of 5-[[3-(4-ethoxyphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-3H-1,3,4-oxadiazol-2-one?
The IUPAC name of 5-[[3-(4-ethoxyphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-3H-1,3,4-oxadiazol-2-one (CID 177383234) is 5-[[3-(4-ethoxyphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-3H-1,3,4-oxadiazol-2-one.
What is the SMILES notation for 5-[[3-(4-ethoxyphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-3H-1,3,4-oxadiazol-2-one?
The canonical SMILES for 5-[[3-(4-ethoxyphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-3H-1,3,4-oxadiazol-2-one is CCOc1ccc(N2CC(Cc3n[nH]c(=O)o3)OC2=O)cc1.
What is the InChIKey of 5-[[3-(4-ethoxyphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-3H-1,3,4-oxadiazol-2-one?
The InChIKey is SCPYTBHSHDNITR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O5/c1-2-20-10-5-3-9(4-6-10)17-8-11(21-14(17)19)7-12-15-16-13(18)22-12/h3-6,11H,2,7-8H2,1H3,(H,16,18).
What are the key properties of 5-[[3-(4-ethoxyphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-3H-1,3,4-oxadiazol-2-one?
5-[[3-(4-ethoxyphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-3H-1,3,4-oxadiazol-2-one has a molecular weight of 305.29 g/mol, XLogP of 1.33, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[3-(4-ethoxyphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-3H-1,3,4-oxadiazol-2-one is sourced from PubChem (CID 177383234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).