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

C14H18N2O2 — CID 63345406

IUPAC4-methyl-3-(3-phenyl-1,2,4-oxadiazol-5-yl)pentan-2-ol
SMILESCC(C)C(c1nc(-c2ccccc2)no1)C(C)O
InChIInChI=1S/C14H18N2O2/c1-9(2)12(10(3)17)14-15-13(16-18-14)11-7-5-4-6-8-11/h4-10,12,17H,1-3H3
InChIKeyQFRJJIBGMGBCRQ-UHFFFAOYSA-N
MW246.31 g/mol
LogP2.86
Rot. Bonds4

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

4-methyl-3-(3-phenyl-1,2,4-oxadiazol-5-yl)pentan-2-ol (PubChem CID 63345406) has the molecular formula C14H18N2O2 and a molecular weight of 246.31 g/mol. Its IUPAC name is 4-methyl-3-(3-phenyl-1,2,4-oxadiazol-5-yl)pentan-2-ol.

Molecular Properties

Compound Name4-methyl-3-(3-phenyl-1,2,4-oxadiazol-5-yl)pentan-2-ol
PubChem CID63345406
Molecular FormulaC14H18N2O2
Molecular Weight246.31 g/mol
Exact Mass246.14
IUPAC Name4-methyl-3-(3-phenyl-1,2,4-oxadiazol-5-yl)pentan-2-ol
SMILESCC(C)C(c1nc(-c2ccccc2)no1)C(C)O
InChIInChI=1S/C14H18N2O2/c1-9(2)12(10(3)17)14-15-13(16-18-14)11-7-5-4-6-8-11/h4-10,12,17H,1-3H3
InChIKeyQFRJJIBGMGBCRQ-UHFFFAOYSA-N
XLogP2.86
TPSA59.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(3-phenyl-1,2,4-oxadiazol-5-yl)butan-2-ol
CID 63345367
(1S)-1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethanol
CID 66264576
1-phenyl-2-(3-phenyl-1,2,4-oxadiazol-5-yl)propan-1-ol
CID 104847315
(1S)-N,2-dimethyl-1-(3-phenyl-1,2,4-oxadiazol-5-yl)propan-1-amine
CID 59361184
3-[3-(4-fluoro-3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-4-methylpentan-2-ol
CID 107923162
3-(3-phenyl-1,2,4-oxadiazol-5-yl)butan-2-amine;hydrochloride
CID 120835072
3-[3-(6-methoxypyridazin-3-yl)-1,2,4-oxadiazol-5-yl]-4-methylpentan-2-ol
CID 103375293
4-methyl-3-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]pentan-2-ol
CID 63346014
1-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethanol
CID 63345393
5-[(1R)-1-(4-methylphenyl)sulfanylethyl]-3-phenyl-1,2,4-oxadiazole
CID 2233558
4-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)phenol
CID 135912791
N-[2-methyl-1-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]propyl]benzamide
CID 83288740

Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-(3-phenyl-1,2,4-oxadiazol-5-yl)pentan-2-ol?
The IUPAC name of 4-methyl-3-(3-phenyl-1,2,4-oxadiazol-5-yl)pentan-2-ol (CID 63345406) is 4-methyl-3-(3-phenyl-1,2,4-oxadiazol-5-yl)pentan-2-ol.
What is the SMILES notation for 4-methyl-3-(3-phenyl-1,2,4-oxadiazol-5-yl)pentan-2-ol?
The canonical SMILES for 4-methyl-3-(3-phenyl-1,2,4-oxadiazol-5-yl)pentan-2-ol is CC(C)C(c1nc(-c2ccccc2)no1)C(C)O.
What is the InChIKey of 4-methyl-3-(3-phenyl-1,2,4-oxadiazol-5-yl)pentan-2-ol?
The InChIKey is QFRJJIBGMGBCRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2/c1-9(2)12(10(3)17)14-15-13(16-18-14)11-7-5-4-6-8-11/h4-10,12,17H,1-3H3.
What are the key properties of 4-methyl-3-(3-phenyl-1,2,4-oxadiazol-5-yl)pentan-2-ol?
4-methyl-3-(3-phenyl-1,2,4-oxadiazol-5-yl)pentan-2-ol has a molecular weight of 246.31 g/mol, XLogP of 2.86, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-(3-phenyl-1,2,4-oxadiazol-5-yl)pentan-2-ol is sourced from PubChem (CID 63345406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).