[3-(3-methylimidazol-4-yl)-1,2,4-oxadiazol-5-yl]-phenylmethanol

C13H12N4O2 — CID 82903111

IUPAC[3-(3-methylimidazol-4-yl)-1,2,4-oxadiazol-5-yl]-phenylmethanol
SMILESCn1cncc1-c1noc(C(O)c2ccccc2)n1
InChIInChI=1S/C13H12N4O2/c1-17-8-14-7-10(17)12-15-13(19-16-12)11(18)9-5-3-2-4-6-9/h2-8,11,18H,1H3
InChIKeyBPLKPEBTSFJRQB-UHFFFAOYSA-N
MW256.26 g/mol
LogP1.55
Rot. Bonds3

About [3-(3-methylimidazol-4-yl)-1,2,4-oxadiazol-5-yl]-phenylmethanol

[3-(3-methylimidazol-4-yl)-1,2,4-oxadiazol-5-yl]-phenylmethanol (PubChem CID 82903111) has the molecular formula C13H12N4O2 and a molecular weight of 256.26 g/mol. Its IUPAC name is [3-(3-methylimidazol-4-yl)-1,2,4-oxadiazol-5-yl]-phenylmethanol.

Molecular Properties

Compound Name[3-(3-methylimidazol-4-yl)-1,2,4-oxadiazol-5-yl]-phenylmethanol
PubChem CID82903111
Molecular FormulaC13H12N4O2
Molecular Weight256.26 g/mol
Exact Mass256.10
IUPAC Name[3-(3-methylimidazol-4-yl)-1,2,4-oxadiazol-5-yl]-phenylmethanol
SMILESCn1cncc1-c1noc(C(O)c2ccccc2)n1
InChIInChI=1S/C13H12N4O2/c1-17-8-14-7-10(17)12-15-13(19-16-12)11(18)9-5-3-2-4-6-9/h2-8,11,18H,1H3
InChIKeyBPLKPEBTSFJRQB-UHFFFAOYSA-N
XLogP1.55
TPSA76.97 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.26
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[3-(1-methylpyrazol-3-yl)-1,2,4-oxadiazol-5-yl]-phenylmethanol
CID 65199628
phenyl-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methanol
CID 63850087
1-[3-(3-methylimidazol-4-yl)-1,2,4-oxadiazol-5-yl]butan-2-ol
CID 82903104
4-methyl-3-[3-(3-methylimidazol-4-yl)-1,2,4-oxadiazol-5-yl]pentan-2-amine
CID 82903110
4-methyl-3-[3-(3-methylimidazol-4-yl)-1,2,4-oxadiazol-5-yl]pentan-2-one
CID 82903373
[3-(2-methylpyrimidin-4-yl)-1,2,4-oxadiazol-5-yl]-phenylmethanol
CID 115531552
2-[3-(3-methylimidazol-4-yl)-1,2,4-oxadiazol-5-yl]butan-1-amine
CID 82895457
(3-methyl-1,2,4-oxadiazol-5-yl)-phenylmethanol
CID 63851603
ethyl 2-[3-(3-methylimidazol-4-yl)-1,2,4-oxadiazol-5-yl]propanoate
CID 82895652
phenyl-(3-propyl-1,2,4-oxadiazol-5-yl)methanol
CID 63850614
1-[3-(3-methylimidazol-4-yl)-1,2,4-oxadiazol-5-yl]-3-methylsulfanylpropan-1-amine
CID 82895642
N-ethyl-4-methyl-3-[3-(3-methylimidazol-4-yl)-1,2,4-oxadiazol-5-yl]pentan-2-amine
CID 82902395

Frequently Asked Questions

What is the IUPAC name of [3-(3-methylimidazol-4-yl)-1,2,4-oxadiazol-5-yl]-phenylmethanol?
The IUPAC name of [3-(3-methylimidazol-4-yl)-1,2,4-oxadiazol-5-yl]-phenylmethanol (CID 82903111) is [3-(3-methylimidazol-4-yl)-1,2,4-oxadiazol-5-yl]-phenylmethanol.
What is the SMILES notation for [3-(3-methylimidazol-4-yl)-1,2,4-oxadiazol-5-yl]-phenylmethanol?
The canonical SMILES for [3-(3-methylimidazol-4-yl)-1,2,4-oxadiazol-5-yl]-phenylmethanol is Cn1cncc1-c1noc(C(O)c2ccccc2)n1.
What is the InChIKey of [3-(3-methylimidazol-4-yl)-1,2,4-oxadiazol-5-yl]-phenylmethanol?
The InChIKey is BPLKPEBTSFJRQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4O2/c1-17-8-14-7-10(17)12-15-13(19-16-12)11(18)9-5-3-2-4-6-9/h2-8,11,18H,1H3.
What are the key properties of [3-(3-methylimidazol-4-yl)-1,2,4-oxadiazol-5-yl]-phenylmethanol?
[3-(3-methylimidazol-4-yl)-1,2,4-oxadiazol-5-yl]-phenylmethanol has a molecular weight of 256.26 g/mol, XLogP of 1.55, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(3-methylimidazol-4-yl)-1,2,4-oxadiazol-5-yl]-phenylmethanol is sourced from PubChem (CID 82903111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).