1-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)cyclopropan-1-ol

C8H12N2O2 — CID 153278290

IUPAC1-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)cyclopropan-1-ol
SMILESCC(C)c1nnc(C2(O)CC2)o1
InChIInChI=1S/C8H12N2O2/c1-5(2)6-9-10-7(12-6)8(11)3-4-8/h5,11H,3-4H2,1-2H3
InChIKeyRCPPEPFRJXPKDU-UHFFFAOYSA-N
MW168.20 g/mol
LogP1.17
Rot. Bonds2

About 1-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)cyclopropan-1-ol

1-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)cyclopropan-1-ol (PubChem CID 153278290) has the molecular formula C8H12N2O2 and a molecular weight of 168.20 g/mol. Its IUPAC name is 1-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)cyclopropan-1-ol.

Molecular Properties

Compound Name1-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)cyclopropan-1-ol
PubChem CID153278290
Molecular FormulaC8H12N2O2
Molecular Weight168.20 g/mol
Exact Mass168.09
IUPAC Name1-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)cyclopropan-1-ol
SMILESCC(C)c1nnc(C2(O)CC2)o1
InChIInChI=1S/C8H12N2O2/c1-5(2)6-9-10-7(12-6)8(11)3-4-8/h5,11H,3-4H2,1-2H3
InChIKeyRCPPEPFRJXPKDU-UHFFFAOYSA-N
XLogP1.17
TPSA59.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.20
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)cyclopropan-1-ol?
The IUPAC name of 1-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)cyclopropan-1-ol (CID 153278290) is 1-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)cyclopropan-1-ol.
What is the SMILES notation for 1-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)cyclopropan-1-ol?
The canonical SMILES for 1-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)cyclopropan-1-ol is CC(C)c1nnc(C2(O)CC2)o1.
What is the InChIKey of 1-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)cyclopropan-1-ol?
The InChIKey is RCPPEPFRJXPKDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O2/c1-5(2)6-9-10-7(12-6)8(11)3-4-8/h5,11H,3-4H2,1-2H3.
What are the key properties of 1-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)cyclopropan-1-ol?
1-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)cyclopropan-1-ol has a molecular weight of 168.20 g/mol, XLogP of 1.17, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)cyclopropan-1-ol is sourced from PubChem (CID 153278290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).