1-[3-[methoxy(phenyl)methyl]-1,2,4-oxadiazol-5-yl]pentan-2-ol

C15H20N2O3 — CID 116780933

IUPAC1-[3-[methoxy(phenyl)methyl]-1,2,4-oxadiazol-5-yl]pentan-2-ol
SMILESCCCC(O)Cc1nc(C(OC)c2ccccc2)no1
InChIInChI=1S/C15H20N2O3/c1-3-7-12(18)10-13-16-15(17-20-13)14(19-2)11-8-5-4-6-9-11/h4-6,8-9,12,14,18H,3,7,10H2,1-2H3
InChIKeyKUZBDEDRPZJVSY-UHFFFAOYSA-N
MW276.34 g/mol
LogP2.51
Rot. Bonds7

About 1-[3-[methoxy(phenyl)methyl]-1,2,4-oxadiazol-5-yl]pentan-2-ol

1-[3-[methoxy(phenyl)methyl]-1,2,4-oxadiazol-5-yl]pentan-2-ol (PubChem CID 116780933) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is 1-[3-[methoxy(phenyl)methyl]-1,2,4-oxadiazol-5-yl]pentan-2-ol.

Molecular Properties

Compound Name1-[3-[methoxy(phenyl)methyl]-1,2,4-oxadiazol-5-yl]pentan-2-ol
PubChem CID116780933
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC Name1-[3-[methoxy(phenyl)methyl]-1,2,4-oxadiazol-5-yl]pentan-2-ol
SMILESCCCC(O)Cc1nc(C(OC)c2ccccc2)no1
InChIInChI=1S/C15H20N2O3/c1-3-7-12(18)10-13-16-15(17-20-13)14(19-2)11-8-5-4-6-9-11/h4-6,8-9,12,14,18H,3,7,10H2,1-2H3
InChIKeyKUZBDEDRPZJVSY-UHFFFAOYSA-N
XLogP2.51
TPSA68.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[3-[methoxy(phenyl)methyl]-1,2,4-oxadiazol-5-yl]pentan-2-ol?
The IUPAC name of 1-[3-[methoxy(phenyl)methyl]-1,2,4-oxadiazol-5-yl]pentan-2-ol (CID 116780933) is 1-[3-[methoxy(phenyl)methyl]-1,2,4-oxadiazol-5-yl]pentan-2-ol.
What is the SMILES notation for 1-[3-[methoxy(phenyl)methyl]-1,2,4-oxadiazol-5-yl]pentan-2-ol?
The canonical SMILES for 1-[3-[methoxy(phenyl)methyl]-1,2,4-oxadiazol-5-yl]pentan-2-ol is CCCC(O)Cc1nc(C(OC)c2ccccc2)no1.
What is the InChIKey of 1-[3-[methoxy(phenyl)methyl]-1,2,4-oxadiazol-5-yl]pentan-2-ol?
The InChIKey is KUZBDEDRPZJVSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3/c1-3-7-12(18)10-13-16-15(17-20-13)14(19-2)11-8-5-4-6-9-11/h4-6,8-9,12,14,18H,3,7,10H2,1-2H3.
What are the key properties of 1-[3-[methoxy(phenyl)methyl]-1,2,4-oxadiazol-5-yl]pentan-2-ol?
1-[3-[methoxy(phenyl)methyl]-1,2,4-oxadiazol-5-yl]pentan-2-ol has a molecular weight of 276.34 g/mol, XLogP of 2.51, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[methoxy(phenyl)methyl]-1,2,4-oxadiazol-5-yl]pentan-2-ol is sourced from PubChem (CID 116780933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).