5-[(2R)-2-phenylcyclopropyl]-3H-1,3,4-oxadiazol-2-one

C11H10N2O2 — CID 174254060

IUPAC5-[(2R)-2-phenylcyclopropyl]-3H-1,3,4-oxadiazol-2-one
SMILESO=c1[nH]nc(C2C[C@H]2c2ccccc2)o1
InChIInChI=1S/C11H10N2O2/c14-11-13-12-10(15-11)9-6-8(9)7-4-2-1-3-5-7/h1-5,8-9H,6H2,(H,13,14)/t8-,9?/m0/s1
InChIKeyPAGKXSCMBRVFMK-IENPIDJESA-N
MW202.21 g/mol
LogP1.63
Rot. Bonds2

About 5-[(2R)-2-phenylcyclopropyl]-3H-1,3,4-oxadiazol-2-one

5-[(2R)-2-phenylcyclopropyl]-3H-1,3,4-oxadiazol-2-one (PubChem CID 174254060) has the molecular formula C11H10N2O2 and a molecular weight of 202.21 g/mol. Its IUPAC name is 5-[(2R)-2-phenylcyclopropyl]-3H-1,3,4-oxadiazol-2-one.

Molecular Properties

Compound Name5-[(2R)-2-phenylcyclopropyl]-3H-1,3,4-oxadiazol-2-one
PubChem CID174254060
Molecular FormulaC11H10N2O2
Molecular Weight202.21 g/mol
Exact Mass202.07
IUPAC Name5-[(2R)-2-phenylcyclopropyl]-3H-1,3,4-oxadiazol-2-one
SMILESO=c1[nH]nc(C2C[C@H]2c2ccccc2)o1
InChIInChI=1S/C11H10N2O2/c14-11-13-12-10(15-11)9-6-8(9)7-4-2-1-3-5-7/h1-5,8-9H,6H2,(H,13,14)/t8-,9?/m0/s1
InChIKeyPAGKXSCMBRVFMK-IENPIDJESA-N
XLogP1.63
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 ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[(2R)-2-phenylcyclopropyl]-3H-1,3,4-oxadiazol-2-one?
The IUPAC name of 5-[(2R)-2-phenylcyclopropyl]-3H-1,3,4-oxadiazol-2-one (CID 174254060) is 5-[(2R)-2-phenylcyclopropyl]-3H-1,3,4-oxadiazol-2-one.
What is the SMILES notation for 5-[(2R)-2-phenylcyclopropyl]-3H-1,3,4-oxadiazol-2-one?
The canonical SMILES for 5-[(2R)-2-phenylcyclopropyl]-3H-1,3,4-oxadiazol-2-one is O=c1[nH]nc(C2C[C@H]2c2ccccc2)o1.
What is the InChIKey of 5-[(2R)-2-phenylcyclopropyl]-3H-1,3,4-oxadiazol-2-one?
The InChIKey is PAGKXSCMBRVFMK-IENPIDJESA-N. The full InChI is InChI=1S/C11H10N2O2/c14-11-13-12-10(15-11)9-6-8(9)7-4-2-1-3-5-7/h1-5,8-9H,6H2,(H,13,14)/t8-,9?/m0/s1.
What are the key properties of 5-[(2R)-2-phenylcyclopropyl]-3H-1,3,4-oxadiazol-2-one?
5-[(2R)-2-phenylcyclopropyl]-3H-1,3,4-oxadiazol-2-one has a molecular weight of 202.21 g/mol, XLogP of 1.63, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2R)-2-phenylcyclopropyl]-3H-1,3,4-oxadiazol-2-one is sourced from PubChem (CID 174254060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).