5-(3-methoxyphenyl)-3H-1,3,4-oxadiazol-2-one

C9H8N2O3 — CID 14173560

IUPAC5-(3-methoxyphenyl)-3H-1,3,4-oxadiazol-2-one
SMILESCOc1cccc(-c2n[nH]c(=O)o2)c1
InChIInChI=1S/C9H8N2O3/c1-13-7-4-2-3-6(5-7)8-10-11-9(12)14-8/h2-5H,1H3,(H,11,12)
InChIKeySTTWANCXBHRTPL-UHFFFAOYSA-N
MW192.17 g/mol
LogP1.04
Rot. Bonds2

About 5-(3-methoxyphenyl)-3H-1,3,4-oxadiazol-2-one

5-(3-methoxyphenyl)-3H-1,3,4-oxadiazol-2-one (PubChem CID 14173560) has the molecular formula C9H8N2O3 and a molecular weight of 192.17 g/mol. Its IUPAC name is 5-(3-methoxyphenyl)-3H-1,3,4-oxadiazol-2-one.

Molecular Properties

Compound Name5-(3-methoxyphenyl)-3H-1,3,4-oxadiazol-2-one
PubChem CID14173560
Molecular FormulaC9H8N2O3
Molecular Weight192.17 g/mol
Exact Mass192.05
IUPAC Name5-(3-methoxyphenyl)-3H-1,3,4-oxadiazol-2-one
SMILESCOc1cccc(-c2n[nH]c(=O)o2)c1
InChIInChI=1S/C9H8N2O3/c1-13-7-4-2-3-6(5-7)8-10-11-9(12)14-8/h2-5H,1H3,(H,11,12)
InChIKeySTTWANCXBHRTPL-UHFFFAOYSA-N
XLogP1.04
TPSA68.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.17
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(4-Methoxyphenyl)-1,3,4-oxadiazole-2-thiol
CID 683639
5-(4-Isopropoxyphenyl)-1,3,4-oxadiazol-2-ol
CID 137772851
5-(4-Methoxyphenyl)-1,3,4-oxadiazol-2(3H)-one
CID 583958
methyl N-[(E)-1-[4-(difluoromethoxy)phenyl]propylideneamino]carbamate
CID 9611400
5-(2-Methoxyphenyl)-1,3,4-oxadiazole-2-thiol
CID 749967
5-(3-Methoxyphenyl)-1,3,4-oxadiazole-2-thiol
CID 726011
ethyl N-[(E)-1-[2-(difluoromethoxy)phenyl]ethylideneamino]carbamate
CID 9658134
5-[(E)-2-(7-methoxy-3,4-dihydronaphthalen-1-yl)ethenyl]-3H-1,3,4-oxadiazol-2-one
CID 162674710
5-[(E)-2-(3,5-dimethoxyphenyl)ethenyl]-3H-1,3,4-oxadiazol-2-one
CID 166628916
5-[3-(4-Methoxyphenyl)propyl]-1,3,4-oxadiazole-2-thiol
CID 834866
methyl N-[(E)-1-[4-(difluoromethoxy)phenyl]ethylideneamino]carbamate
CID 9671299
5-(3,4,5-Trimethoxyphenyl)-1,3,4-oxadiazol-2-ol
CID 330197

Frequently Asked Questions

What is the IUPAC name of 5-(3-methoxyphenyl)-3H-1,3,4-oxadiazol-2-one?
The IUPAC name of 5-(3-methoxyphenyl)-3H-1,3,4-oxadiazol-2-one (CID 14173560) is 5-(3-methoxyphenyl)-3H-1,3,4-oxadiazol-2-one.
What is the SMILES notation for 5-(3-methoxyphenyl)-3H-1,3,4-oxadiazol-2-one?
The canonical SMILES for 5-(3-methoxyphenyl)-3H-1,3,4-oxadiazol-2-one is COc1cccc(-c2n[nH]c(=O)o2)c1.
What is the InChIKey of 5-(3-methoxyphenyl)-3H-1,3,4-oxadiazol-2-one?
The InChIKey is STTWANCXBHRTPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2O3/c1-13-7-4-2-3-6(5-7)8-10-11-9(12)14-8/h2-5H,1H3,(H,11,12).
What are the key properties of 5-(3-methoxyphenyl)-3H-1,3,4-oxadiazol-2-one?
5-(3-methoxyphenyl)-3H-1,3,4-oxadiazol-2-one has a molecular weight of 192.17 g/mol, XLogP of 1.04, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-methoxyphenyl)-3H-1,3,4-oxadiazol-2-one is sourced from PubChem (CID 14173560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).