[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methanol

C10H10N2O2 — CID 9441674

IUPAC[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methanol
SMILESCc1ccccc1-c1noc(CO)n1
InChIInChI=1S/C10H10N2O2/c1-7-4-2-3-5-8(7)10-11-9(6-13)14-12-10/h2-5,13H,6H2,1H3
InChIKeyXCFDNLLGYJCIGJ-UHFFFAOYSA-N
MW190.20 g/mol
LogP1.54
Rot. Bonds2

About [3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methanol

[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methanol (PubChem CID 9441674) has the molecular formula C10H10N2O2 and a molecular weight of 190.20 g/mol. Its IUPAC name is [3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methanol.

Molecular Properties

Compound Name[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methanol
PubChem CID9441674
Molecular FormulaC10H10N2O2
Molecular Weight190.20 g/mol
Exact Mass190.07
IUPAC Name[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methanol
SMILESCc1ccccc1-c1noc(CO)n1
InChIInChI=1S/C10H10N2O2/c1-7-4-2-3-5-8(7)10-11-9(6-13)14-12-10/h2-5,13H,6H2,1H3
InChIKeyXCFDNLLGYJCIGJ-UHFFFAOYSA-N
XLogP1.54
TPSA59.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.20
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Phenylmethyloxadiazole
CID 98806
Sodium perchlorate hydrate
CID 270750
(3-Phenyl-1,2,4-oxadiazol-5-yl)methanol
CID 12569958
3-Phenyl-5-(propan-2-yl)-1,2,4-oxadiazole
CID 12710734
Ethyl 3-phenyl-(1,2,4)oxadiazole-5-carboxylate
CID 6461838
3-(2-Methoxyethyl)-3'-phenyl-5,5'-bi-1,2,4-oxadiazole
CID 75527940
3-Ethyl-3'-(2-methylphenyl)-5,5'-bi-1,2,4-oxadiazole
CID 91917222
3-Phenyl-5-hydroxyiminomethyl-1,2,4-oxadiazole
CID 135580781
Oxadiazole, 1,2,4-, 5-ethyl-3-phenyl-
CID 139136
5-(3-Isopropyl-4,5-dihydro-5-isoxazolyl)-3-(2-methylphenyl)-1,2,4-oxadiazole
CID 45932987
2-[Decyl-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]amino]ethanol
CID 155510632
2-[(3-Phenyl-1,2,4-oxadiazol-5-yl)methyl-tetradecylamino]ethanol
CID 155538982

Frequently Asked Questions

What is the IUPAC name of [3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methanol?
The IUPAC name of [3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methanol (CID 9441674) is [3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methanol.
What is the SMILES notation for [3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methanol?
The canonical SMILES for [3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methanol is Cc1ccccc1-c1noc(CO)n1.
What is the InChIKey of [3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methanol?
The InChIKey is XCFDNLLGYJCIGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O2/c1-7-4-2-3-5-8(7)10-11-9(6-13)14-12-10/h2-5,13H,6H2,1H3.
What are the key properties of [3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methanol?
[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methanol has a molecular weight of 190.20 g/mol, XLogP of 1.54, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methanol is sourced from PubChem (CID 9441674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).