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

C11H10N2O2 — CID 150725029

IUPAC5-(4-cyclopropylphenyl)-3H-1,3,4-oxadiazol-2-one
SMILESO=c1[nH]nc(-c2ccc(C3CC3)cc2)o1
InChIInChI=1S/C11H10N2O2/c14-11-13-12-10(15-11)9-5-3-8(4-6-9)7-1-2-7/h3-7H,1-2H2,(H,13,14)
InChIKeyJQQMPALFPYZWPO-UHFFFAOYSA-N
MW202.21 g/mol
LogP1.91
Rot. Bonds2

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

5-(4-cyclopropylphenyl)-3H-1,3,4-oxadiazol-2-one (PubChem CID 150725029) has the molecular formula C11H10N2O2 and a molecular weight of 202.21 g/mol. Its IUPAC name is 5-(4-cyclopropylphenyl)-3H-1,3,4-oxadiazol-2-one.

Molecular Properties

Compound Name5-(4-cyclopropylphenyl)-3H-1,3,4-oxadiazol-2-one
PubChem CID150725029
Molecular FormulaC11H10N2O2
Molecular Weight202.21 g/mol
Exact Mass202.07
IUPAC Name5-(4-cyclopropylphenyl)-3H-1,3,4-oxadiazol-2-one
SMILESO=c1[nH]nc(-c2ccc(C3CC3)cc2)o1
InChIInChI=1S/C11H10N2O2/c14-11-13-12-10(15-11)9-5-3-8(4-6-9)7-1-2-7/h3-7H,1-2H2,(H,13,14)
InChIKeyJQQMPALFPYZWPO-UHFFFAOYSA-N
XLogP1.91
TPSA58.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.21
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-Phenyl-1,3,4-oxadiazol-2-IN-5-one
CID 352208
5-(4-Fluorophenyl)-1,3,4-oxadiazol-2(3H)-one
CID 2535079
5-(4-Methylphenyl)-1,3,4-oxadiazol-2(3H)-one
CID 12777256
5-(4-isopropylphenyl)-1,3,4-oxadiazol-2(3H)-one
CID 312920
5-(4-Tert-butylphenyl)-1,3,4-oxadiazol-2-ol
CID 858350
5-(4-(Trifluoromethyl)phenyl)-1,3,4-oxadiazol-2(3H)-one
CID 15462811
5-(4-Ethylphenyl)-1,3,4-oxadiazol-2-ol
CID 64147246
5-[2-(Trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-ol
CID 64193808
5-[3-(trifluoromethyl)phenyl]-3H-1,3,4-oxadiazol-2-one
CID 64194180
5-(3-Ethylphenyl)-1,3,4-oxadiazol-2-ol
CID 146425078
5-(3-Cyclopropylphenyl)-1,3,4-oxadiazol-2-ol
CID 146437790
5-(2-methylphenyl)-3H-1,3,4-oxadiazol-2-one
CID 833670

Frequently Asked Questions

What is the IUPAC name of 5-(4-cyclopropylphenyl)-3H-1,3,4-oxadiazol-2-one?
The IUPAC name of 5-(4-cyclopropylphenyl)-3H-1,3,4-oxadiazol-2-one (CID 150725029) is 5-(4-cyclopropylphenyl)-3H-1,3,4-oxadiazol-2-one.
What is the SMILES notation for 5-(4-cyclopropylphenyl)-3H-1,3,4-oxadiazol-2-one?
The canonical SMILES for 5-(4-cyclopropylphenyl)-3H-1,3,4-oxadiazol-2-one is O=c1[nH]nc(-c2ccc(C3CC3)cc2)o1.
What is the InChIKey of 5-(4-cyclopropylphenyl)-3H-1,3,4-oxadiazol-2-one?
The InChIKey is JQQMPALFPYZWPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O2/c14-11-13-12-10(15-11)9-5-3-8(4-6-9)7-1-2-7/h3-7H,1-2H2,(H,13,14).
What are the key properties of 5-(4-cyclopropylphenyl)-3H-1,3,4-oxadiazol-2-one?
5-(4-cyclopropylphenyl)-3H-1,3,4-oxadiazol-2-one has a molecular weight of 202.21 g/mol, XLogP of 1.91, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-cyclopropylphenyl)-3H-1,3,4-oxadiazol-2-one is sourced from PubChem (CID 150725029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).