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

C9H8N2O3 — CID 583958

IUPAC5-(4-methoxyphenyl)-3H-1,3,4-oxadiazol-2-one
SMILESCOc1ccc(-c2n[nH]c(=O)o2)cc1
InChIInChI=1S/C9H8N2O3/c1-13-7-4-2-6(3-5-7)8-10-11-9(12)14-8/h2-5H,1H3,(H,11,12)
InChIKeyYRYGGQXFJDSZLH-UHFFFAOYSA-N
MW192.17 g/mol
LogP1.04
Rot. Bonds2

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

5-(4-methoxyphenyl)-3H-1,3,4-oxadiazol-2-one (PubChem CID 583958) has the molecular formula C9H8N2O3 and a molecular weight of 192.17 g/mol. Its IUPAC name is 5-(4-methoxyphenyl)-3H-1,3,4-oxadiazol-2-one.

Molecular Properties

Compound Name5-(4-methoxyphenyl)-3H-1,3,4-oxadiazol-2-one
PubChem CID583958
Molecular FormulaC9H8N2O3
Molecular Weight192.17 g/mol
Exact Mass192.05
IUPAC Name5-(4-methoxyphenyl)-3H-1,3,4-oxadiazol-2-one
SMILESCOc1ccc(-c2n[nH]c(=O)o2)cc1
InChIInChI=1S/C9H8N2O3/c1-13-7-4-2-6(3-5-7)8-10-11-9(12)14-8/h2-5H,1H3,(H,11,12)
InChIKeyYRYGGQXFJDSZLH-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-Ethoxyphenyl)-1,3,4-oxadiazole-2-thiol
CID 873479
4-Methoxybenzyl azidoformate
CID 117521
5-[4-(Prop-2-en-1-yloxy)phenyl]-1,3,4-oxadiazole-2-thiol
CID 3100742
methyl N-[(E)-1-[4-(difluoromethoxy)phenyl]propylideneamino]carbamate
CID 9611400
ethyl (2Z)-2-(4-{[(2E)-3-phenylprop-2-en-1-yl]oxy}benzylidene)hydrazinecarboxylate
CID 25237296
5-(2-Methoxyphenyl)-1,3,4-oxadiazole-2-thiol
CID 749967
5-(3-Methoxyphenyl)-3H-1,3,4-oxadiazol-2-one
CID 14173560
5-(4-Methoxybenzyl)-1,3,4-oxadiazole-2-thiol
CID 1133112
5-(3-Methoxyphenyl)-1,3,4-oxadiazole-2-thiol
CID 726011
p-Methoxybenzyl carbazate
CID 87847

Frequently Asked Questions

What is the IUPAC name of 5-(4-methoxyphenyl)-3H-1,3,4-oxadiazol-2-one?
The IUPAC name of 5-(4-methoxyphenyl)-3H-1,3,4-oxadiazol-2-one (CID 583958) is 5-(4-methoxyphenyl)-3H-1,3,4-oxadiazol-2-one.
What is the SMILES notation for 5-(4-methoxyphenyl)-3H-1,3,4-oxadiazol-2-one?
The canonical SMILES for 5-(4-methoxyphenyl)-3H-1,3,4-oxadiazol-2-one is COc1ccc(-c2n[nH]c(=O)o2)cc1.
What is the InChIKey of 5-(4-methoxyphenyl)-3H-1,3,4-oxadiazol-2-one?
The InChIKey is YRYGGQXFJDSZLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2O3/c1-13-7-4-2-6(3-5-7)8-10-11-9(12)14-8/h2-5H,1H3,(H,11,12).
What are the key properties of 5-(4-methoxyphenyl)-3H-1,3,4-oxadiazol-2-one?
5-(4-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-(4-methoxyphenyl)-3H-1,3,4-oxadiazol-2-one is sourced from PubChem (CID 583958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).