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

C11H10N2O2 — CID 146437790

IUPAC5-(3-cyclopropylphenyl)-3H-1,3,4-oxadiazol-2-one
SMILESO=c1[nH]nc(-c2cccc(C3CC3)c2)o1
InChIInChI=1S/C11H10N2O2/c14-11-13-12-10(15-11)9-3-1-2-8(6-9)7-4-5-7/h1-3,6-7H,4-5H2,(H,13,14)
InChIKeyMYDQWZFSUDJBQW-UHFFFAOYSA-N
MW202.21 g/mol
LogP1.91
Rot. Bonds2

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

5-(3-cyclopropylphenyl)-3H-1,3,4-oxadiazol-2-one (PubChem CID 146437790) has the molecular formula C11H10N2O2 and a molecular weight of 202.21 g/mol. Its IUPAC name is 5-(3-cyclopropylphenyl)-3H-1,3,4-oxadiazol-2-one.

Molecular Properties

Compound Name5-(3-cyclopropylphenyl)-3H-1,3,4-oxadiazol-2-one
PubChem CID146437790
Molecular FormulaC11H10N2O2
Molecular Weight202.21 g/mol
Exact Mass202.07
IUPAC Name5-(3-cyclopropylphenyl)-3H-1,3,4-oxadiazol-2-one
SMILESO=c1[nH]nc(-c2cccc(C3CC3)c2)o1
InChIInChI=1S/C11H10N2O2/c14-11-13-12-10(15-11)9-3-1-2-8(6-9)7-4-5-7/h1-3,6-7H,4-5H2,(H,13,14)
InChIKeyMYDQWZFSUDJBQW-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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Frequently Asked Questions

What is the IUPAC name of 5-(3-cyclopropylphenyl)-3H-1,3,4-oxadiazol-2-one?
The IUPAC name of 5-(3-cyclopropylphenyl)-3H-1,3,4-oxadiazol-2-one (CID 146437790) is 5-(3-cyclopropylphenyl)-3H-1,3,4-oxadiazol-2-one.
What is the SMILES notation for 5-(3-cyclopropylphenyl)-3H-1,3,4-oxadiazol-2-one?
The canonical SMILES for 5-(3-cyclopropylphenyl)-3H-1,3,4-oxadiazol-2-one is O=c1[nH]nc(-c2cccc(C3CC3)c2)o1.
What is the InChIKey of 5-(3-cyclopropylphenyl)-3H-1,3,4-oxadiazol-2-one?
The InChIKey is MYDQWZFSUDJBQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O2/c14-11-13-12-10(15-11)9-3-1-2-8(6-9)7-4-5-7/h1-3,6-7H,4-5H2,(H,13,14).
What are the key properties of 5-(3-cyclopropylphenyl)-3H-1,3,4-oxadiazol-2-one?
5-(3-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-(3-cyclopropylphenyl)-3H-1,3,4-oxadiazol-2-one is sourced from PubChem (CID 146437790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).