phenyl-(3-propyl-1,2,4-oxadiazol-5-yl)methanol

C12H14N2O2 — CID 63850614

IUPACphenyl-(3-propyl-1,2,4-oxadiazol-5-yl)methanol
SMILESCCCc1noc(C(O)c2ccccc2)n1
InChIInChI=1S/C12H14N2O2/c1-2-6-10-13-12(16-14-10)11(15)9-7-4-3-5-8-9/h3-5,7-8,11,15H,2,6H2,1H3
InChIKeyFZVKBQMHAYOIDN-UHFFFAOYSA-N
MW218.26 g/mol
LogP2.10
Rot. Bonds4

About phenyl-(3-propyl-1,2,4-oxadiazol-5-yl)methanol

phenyl-(3-propyl-1,2,4-oxadiazol-5-yl)methanol (PubChem CID 63850614) has the molecular formula C12H14N2O2 and a molecular weight of 218.26 g/mol. Its IUPAC name is phenyl-(3-propyl-1,2,4-oxadiazol-5-yl)methanol.

Molecular Properties

Compound Namephenyl-(3-propyl-1,2,4-oxadiazol-5-yl)methanol
PubChem CID63850614
Molecular FormulaC12H14N2O2
Molecular Weight218.26 g/mol
Exact Mass218.11
IUPAC Namephenyl-(3-propyl-1,2,4-oxadiazol-5-yl)methanol
SMILESCCCc1noc(C(O)c2ccccc2)n1
InChIInChI=1S/C12H14N2O2/c1-2-6-10-13-12(16-14-10)11(15)9-7-4-3-5-8-9/h3-5,7-8,11,15H,2,6H2,1H3
InChIKeyFZVKBQMHAYOIDN-UHFFFAOYSA-N
XLogP2.10
TPSA59.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

phenyl-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]methanol
CID 63844917
[3-(methylsulfonylmethyl)-1,2,4-oxadiazol-5-yl]-phenylmethanol
CID 63844903
(3-methyl-1,2,4-oxadiazol-5-yl)-phenylmethanol
CID 63851603
[3-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,2,4-oxadiazol-5-yl]-phenylmethanol
CID 63846620
[3-[(3-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-phenylmethanol
CID 63846811
[3-(cyclohexylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]-phenylmethanol
CID 65143990
[3-(1-methylpyrazol-3-yl)-1,2,4-oxadiazol-5-yl]-phenylmethanol
CID 65199628
[3-[cyclopropyl(ethoxy)methyl]-1,2,4-oxadiazol-5-yl]-phenylmethanol
CID 116733877
(1S)-1-phenyl-2-[(3-propyl-1,2,4-oxadiazol-5-yl)methylsulfonyl]ethanol
CID 95173170
2-(3-propyl-1,2,4-oxadiazol-5-yl)propanoic acid
CID 119027578
(3-ethyl-1,2,4-oxadiazol-5-yl)-phenylmethanamine;hydrochloride
CID 146064560
phenyl-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methanol
CID 63850087

Frequently Asked Questions

What is the IUPAC name of phenyl-(3-propyl-1,2,4-oxadiazol-5-yl)methanol?
The IUPAC name of phenyl-(3-propyl-1,2,4-oxadiazol-5-yl)methanol (CID 63850614) is phenyl-(3-propyl-1,2,4-oxadiazol-5-yl)methanol.
What is the SMILES notation for phenyl-(3-propyl-1,2,4-oxadiazol-5-yl)methanol?
The canonical SMILES for phenyl-(3-propyl-1,2,4-oxadiazol-5-yl)methanol is CCCc1noc(C(O)c2ccccc2)n1.
What is the InChIKey of phenyl-(3-propyl-1,2,4-oxadiazol-5-yl)methanol?
The InChIKey is FZVKBQMHAYOIDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O2/c1-2-6-10-13-12(16-14-10)11(15)9-7-4-3-5-8-9/h3-5,7-8,11,15H,2,6H2,1H3.
What are the key properties of phenyl-(3-propyl-1,2,4-oxadiazol-5-yl)methanol?
phenyl-(3-propyl-1,2,4-oxadiazol-5-yl)methanol has a molecular weight of 218.26 g/mol, XLogP of 2.10, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl-(3-propyl-1,2,4-oxadiazol-5-yl)methanol is sourced from PubChem (CID 63850614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).