4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)phenol

C11H10N2O2 — CID 135658472

IUPAC4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)phenol
SMILESOc1ccc(-c2noc(C3CC3)n2)cc1
InChIInChI=1S/C11H10N2O2/c14-9-5-3-7(4-6-9)10-12-11(15-13-10)8-1-2-8/h3-6,8,14H,1-2H2
InChIKeyHNSHSGHQGRLQRJ-UHFFFAOYSA-N
MW202.21 g/mol
LogP2.32
Rot. Bonds2

About 4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)phenol

4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)phenol (PubChem CID 135658472) has the molecular formula C11H10N2O2 and a molecular weight of 202.21 g/mol. Its IUPAC name is 4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)phenol.

Molecular Properties

Compound Name4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)phenol
PubChem CID135658472
Molecular FormulaC11H10N2O2
Molecular Weight202.21 g/mol
Exact Mass202.07
IUPAC Name4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)phenol
SMILESOc1ccc(-c2noc(C3CC3)n2)cc1
InChIInChI=1S/C11H10N2O2/c14-9-5-3-7(4-6-9)10-12-11(15-13-10)8-1-2-8/h3-6,8,14H,1-2H2
InChIKeyHNSHSGHQGRLQRJ-UHFFFAOYSA-N
XLogP2.32
TPSA59.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.21
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)phenol?
The IUPAC name of 4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)phenol (CID 135658472) is 4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)phenol.
What is the SMILES notation for 4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)phenol?
The canonical SMILES for 4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)phenol is Oc1ccc(-c2noc(C3CC3)n2)cc1.
What is the InChIKey of 4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)phenol?
The InChIKey is HNSHSGHQGRLQRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O2/c14-9-5-3-7(4-6-9)10-12-11(15-13-10)8-1-2-8/h3-6,8,14H,1-2H2.
What are the key properties of 4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)phenol?
4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)phenol has a molecular weight of 202.21 g/mol, XLogP of 2.32, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)phenol is sourced from PubChem (CID 135658472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).