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

C17H16N2O2 — CID 104847315

IUPAC1-phenyl-2-(3-phenyl-1,2,4-oxadiazol-5-yl)propan-1-ol
SMILESCC(c1nc(-c2ccccc2)no1)C(O)c1ccccc1
InChIInChI=1S/C17H16N2O2/c1-12(15(20)13-8-4-2-5-9-13)17-18-16(19-21-17)14-10-6-3-7-11-14/h2-12,15,20H,1H3
InChIKeyXOXMQCWDOAEGEC-UHFFFAOYSA-N
MW280.33 g/mol
LogP3.57
Rot. Bonds4

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

1-phenyl-2-(3-phenyl-1,2,4-oxadiazol-5-yl)propan-1-ol (PubChem CID 104847315) has the molecular formula C17H16N2O2 and a molecular weight of 280.33 g/mol. Its IUPAC name is 1-phenyl-2-(3-phenyl-1,2,4-oxadiazol-5-yl)propan-1-ol.

Molecular Properties

Compound Name1-phenyl-2-(3-phenyl-1,2,4-oxadiazol-5-yl)propan-1-ol
PubChem CID104847315
Molecular FormulaC17H16N2O2
Molecular Weight280.33 g/mol
Exact Mass280.12
IUPAC Name1-phenyl-2-(3-phenyl-1,2,4-oxadiazol-5-yl)propan-1-ol
SMILESCC(c1nc(-c2ccccc2)no1)C(O)c1ccccc1
InChIInChI=1S/C17H16N2O2/c1-12(15(20)13-8-4-2-5-9-13)17-18-16(19-21-17)14-10-6-3-7-11-14/h2-12,15,20H,1H3
InChIKeyXOXMQCWDOAEGEC-UHFFFAOYSA-N
XLogP3.57
TPSA59.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 53.57
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
3-(3-phenyl-1,2,4-oxadiazol-5-yl)butan-2-amine;hydrochloride
CID 120835072
2-[3-(3-methylfuran-2-yl)-1,2,4-oxadiazol-5-yl]-1-phenylpropan-1-ol
CID 104847382
4-methyl-3-(3-phenyl-1,2,4-oxadiazol-5-yl)pentan-2-ol
CID 63345406
phenyl-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methanol
CID 63850087
1-phenyl-2-(3-piperidin-1-yl-1,2,4-oxadiazol-5-yl)propan-1-ol
CID 116808945
(1S)-N,2-dimethyl-1-(3-phenyl-1,2,4-oxadiazol-5-yl)propan-1-amine
CID 59361184
2-methyl-3-[methyl-[phenyl-(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]amino]propanoic acid
CID 122120252
3-(4-methylphenyl)-5-[(1S)-1-phenylpropyl]-1,2,4-oxadiazole
CID 803156
2,2-dimethyl-N-[(1R)-1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]propanamide
CID 7449710
5-[1-(4-methoxyphenoxy)ethyl]-3-phenyl-1,2,4-oxadiazole
CID 2953085

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-2-(3-phenyl-1,2,4-oxadiazol-5-yl)propan-1-ol?
The IUPAC name of 1-phenyl-2-(3-phenyl-1,2,4-oxadiazol-5-yl)propan-1-ol (CID 104847315) is 1-phenyl-2-(3-phenyl-1,2,4-oxadiazol-5-yl)propan-1-ol.
What is the SMILES notation for 1-phenyl-2-(3-phenyl-1,2,4-oxadiazol-5-yl)propan-1-ol?
The canonical SMILES for 1-phenyl-2-(3-phenyl-1,2,4-oxadiazol-5-yl)propan-1-ol is CC(c1nc(-c2ccccc2)no1)C(O)c1ccccc1.
What is the InChIKey of 1-phenyl-2-(3-phenyl-1,2,4-oxadiazol-5-yl)propan-1-ol?
The InChIKey is XOXMQCWDOAEGEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O2/c1-12(15(20)13-8-4-2-5-9-13)17-18-16(19-21-17)14-10-6-3-7-11-14/h2-12,15,20H,1H3.
What are the key properties of 1-phenyl-2-(3-phenyl-1,2,4-oxadiazol-5-yl)propan-1-ol?
1-phenyl-2-(3-phenyl-1,2,4-oxadiazol-5-yl)propan-1-ol has a molecular weight of 280.33 g/mol, XLogP of 3.57, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-2-(3-phenyl-1,2,4-oxadiazol-5-yl)propan-1-ol is sourced from PubChem (CID 104847315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).