2-[3-[(4-chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-1-cyclopropylethanol

C14H15ClN2O2 — CID 55200861

IUPAC2-[3-[(4-chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-1-cyclopropylethanol
SMILESOC(Cc1nc(Cc2ccc(Cl)cc2)no1)C1CC1
InChIInChI=1S/C14H15ClN2O2/c15-11-5-1-9(2-6-11)7-13-16-14(19-17-13)8-12(18)10-3-4-10/h1-2,5-6,10,12,18H,3-4,7-8H2
InChIKeyIKXBRTYLBRPYIL-UHFFFAOYSA-N
MW278.74 g/mol
LogP2.63
Rot. Bonds5

About 2-[3-[(4-chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-1-cyclopropylethanol

2-[3-[(4-chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-1-cyclopropylethanol (PubChem CID 55200861) has the molecular formula C14H15ClN2O2 and a molecular weight of 278.74 g/mol. Its IUPAC name is 2-[3-[(4-chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-1-cyclopropylethanol.

Molecular Properties

Compound Name2-[3-[(4-chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-1-cyclopropylethanol
PubChem CID55200861
Molecular FormulaC14H15ClN2O2
Molecular Weight278.74 g/mol
Exact Mass278.08
IUPAC Name2-[3-[(4-chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-1-cyclopropylethanol
SMILESOC(Cc1nc(Cc2ccc(Cl)cc2)no1)C1CC1
InChIInChI=1S/C14H15ClN2O2/c15-11-5-1-9(2-6-11)7-13-16-14(19-17-13)8-12(18)10-3-4-10/h1-2,5-6,10,12,18H,3-4,7-8H2
InChIKeyIKXBRTYLBRPYIL-UHFFFAOYSA-N
XLogP2.63
TPSA59.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.74
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[(4-chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-1-cyclopropylethanol?
The IUPAC name of 2-[3-[(4-chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-1-cyclopropylethanol (CID 55200861) is 2-[3-[(4-chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-1-cyclopropylethanol.
What is the SMILES notation for 2-[3-[(4-chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-1-cyclopropylethanol?
The canonical SMILES for 2-[3-[(4-chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-1-cyclopropylethanol is OC(Cc1nc(Cc2ccc(Cl)cc2)no1)C1CC1.
What is the InChIKey of 2-[3-[(4-chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-1-cyclopropylethanol?
The InChIKey is IKXBRTYLBRPYIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2O2/c15-11-5-1-9(2-6-11)7-13-16-14(19-17-13)8-12(18)10-3-4-10/h1-2,5-6,10,12,18H,3-4,7-8H2.
What are the key properties of 2-[3-[(4-chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-1-cyclopropylethanol?
2-[3-[(4-chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-1-cyclopropylethanol has a molecular weight of 278.74 g/mol, XLogP of 2.63, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(4-chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-1-cyclopropylethanol is sourced from PubChem (CID 55200861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).