3-[(2-ethoxyphenyl)methyl]-5-methoxy-1,3,4-oxadiazol-2-one

C12H14N2O4 — CID 13488164

IUPAC3-[(2-ethoxyphenyl)methyl]-5-methoxy-1,3,4-oxadiazol-2-one
SMILESCCOc1ccccc1Cn1nc(OC)oc1=O
InChIInChI=1S/C12H14N2O4/c1-3-17-10-7-5-4-6-9(10)8-14-12(15)18-11(13-14)16-2/h4-7H,3,8H2,1-2H3
InChIKeyGDDSQKOBPGFWOR-UHFFFAOYSA-N
MW250.25 g/mol
LogP1.29
Rot. Bonds5

About 3-[(2-ethoxyphenyl)methyl]-5-methoxy-1,3,4-oxadiazol-2-one

3-[(2-ethoxyphenyl)methyl]-5-methoxy-1,3,4-oxadiazol-2-one (PubChem CID 13488164) has the molecular formula C12H14N2O4 and a molecular weight of 250.25 g/mol. Its IUPAC name is 3-[(2-ethoxyphenyl)methyl]-5-methoxy-1,3,4-oxadiazol-2-one.

Molecular Properties

Compound Name3-[(2-ethoxyphenyl)methyl]-5-methoxy-1,3,4-oxadiazol-2-one
PubChem CID13488164
Molecular FormulaC12H14N2O4
Molecular Weight250.25 g/mol
Exact Mass250.10
IUPAC Name3-[(2-ethoxyphenyl)methyl]-5-methoxy-1,3,4-oxadiazol-2-one
SMILESCCOc1ccccc1Cn1nc(OC)oc1=O
InChIInChI=1S/C12H14N2O4/c1-3-17-10-7-5-4-6-9(10)8-14-12(15)18-11(13-14)16-2/h4-7H,3,8H2,1-2H3
InChIKeyGDDSQKOBPGFWOR-UHFFFAOYSA-N
XLogP1.29
TPSA66.49 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.25
LogP ≤ 51.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-benzyl-5-ethoxy-1,3,4-oxadiazol-2-one
CID 13488173
5-ethoxy-3-(2-methoxyphenyl)-1,3,4-oxadiazol-2-one
CID 67328478
(2-ethoxyphenyl)methyl 3-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)propanoate
CID 46639971
N-[(2-ethoxyphenyl)methyl]-1-(2-methoxyethyl)-6-oxopyridazine-3-carboxamide
CID 60565821
4-chloro-1-[(2-ethoxyphenyl)methyl]pyrrolidin-2-one
CID 168687525
5-tert-butyl-1-[(2-ethoxyphenyl)methyl]triazol-4-amine
CID 79547915
1-[(2-ethoxyphenyl)methyl]-5-propan-2-yltriazol-4-amine
CID 79542255
methyl 1-[(2-ethoxyphenyl)methyl]piperidine-4-carboxylate
CID 60670101
3-[[2-(difluoromethoxy)phenyl]methyl]-5-(4-fluorophenyl)-1,3,4-oxadiazol-2-one
CID 17448323
1-ethoxy-2-[2-[2-(2-ethoxyphenyl)ethoxy]ethyl]benzene
CID 141096945
(5S)-3-[(2-ethoxyphenyl)methyl]-5-(3-methoxyphenyl)-5-methylimidazolidine-2,4-dione
CID 8010720
2-[2-[5-(2-ethoxyphenyl)-1-[(2-methoxyphenyl)methyl]pyrazol-3-yl]-4,5-difluorophenoxy]acetic acid
CID 110077387

Frequently Asked Questions

What is the IUPAC name of 3-[(2-ethoxyphenyl)methyl]-5-methoxy-1,3,4-oxadiazol-2-one?
The IUPAC name of 3-[(2-ethoxyphenyl)methyl]-5-methoxy-1,3,4-oxadiazol-2-one (CID 13488164) is 3-[(2-ethoxyphenyl)methyl]-5-methoxy-1,3,4-oxadiazol-2-one.
What is the SMILES notation for 3-[(2-ethoxyphenyl)methyl]-5-methoxy-1,3,4-oxadiazol-2-one?
The canonical SMILES for 3-[(2-ethoxyphenyl)methyl]-5-methoxy-1,3,4-oxadiazol-2-one is CCOc1ccccc1Cn1nc(OC)oc1=O.
What is the InChIKey of 3-[(2-ethoxyphenyl)methyl]-5-methoxy-1,3,4-oxadiazol-2-one?
The InChIKey is GDDSQKOBPGFWOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O4/c1-3-17-10-7-5-4-6-9(10)8-14-12(15)18-11(13-14)16-2/h4-7H,3,8H2,1-2H3.
What are the key properties of 3-[(2-ethoxyphenyl)methyl]-5-methoxy-1,3,4-oxadiazol-2-one?
3-[(2-ethoxyphenyl)methyl]-5-methoxy-1,3,4-oxadiazol-2-one has a molecular weight of 250.25 g/mol, XLogP of 1.29, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-ethoxyphenyl)methyl]-5-methoxy-1,3,4-oxadiazol-2-one is sourced from PubChem (CID 13488164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).