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

C14H12N4O2 — CID 115531552

IUPAC[3-(2-methylpyrimidin-4-yl)-1,2,4-oxadiazol-5-yl]-phenylmethanol
SMILESCc1nccc(-c2noc(C(O)c3ccccc3)n2)n1
InChIInChI=1S/C14H12N4O2/c1-9-15-8-7-11(16-9)13-17-14(20-18-13)12(19)10-5-3-2-4-6-10/h2-8,12,19H,1H3
InChIKeyDNAWSFKTDBWABA-UHFFFAOYSA-N
MW268.28 g/mol
LogP1.92
Rot. Bonds3

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

[3-(2-methylpyrimidin-4-yl)-1,2,4-oxadiazol-5-yl]-phenylmethanol (PubChem CID 115531552) has the molecular formula C14H12N4O2 and a molecular weight of 268.28 g/mol. Its IUPAC name is [3-(2-methylpyrimidin-4-yl)-1,2,4-oxadiazol-5-yl]-phenylmethanol.

Molecular Properties

Compound Name[3-(2-methylpyrimidin-4-yl)-1,2,4-oxadiazol-5-yl]-phenylmethanol
PubChem CID115531552
Molecular FormulaC14H12N4O2
Molecular Weight268.28 g/mol
Exact Mass268.10
IUPAC Name[3-(2-methylpyrimidin-4-yl)-1,2,4-oxadiazol-5-yl]-phenylmethanol
SMILESCc1nccc(-c2noc(C(O)c3ccccc3)n2)n1
InChIInChI=1S/C14H12N4O2/c1-9-15-8-7-11(16-9)13-17-14(20-18-13)12(19)10-5-3-2-4-6-10/h2-8,12,19H,1H3
InChIKeyDNAWSFKTDBWABA-UHFFFAOYSA-N
XLogP1.92
TPSA84.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.28
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[3-(2-methylpyrimidin-4-yl)-1,2,4-oxadiazol-5-yl]-2-phenylethanamine
CID 115529371
(3-methyl-1,2,4-oxadiazol-5-yl)-phenylmethanol
CID 63851603
[3-(1-methylpyrazol-3-yl)-1,2,4-oxadiazol-5-yl]-phenylmethanol
CID 65199628
1-[3-(2-methylpyrimidin-4-yl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 115529198
3-[3-(2-methylpyrimidin-4-yl)-1,2,4-oxadiazol-5-yl]pentan-2-ol
CID 115531396
[3-(3-chloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-phenylmethanol
CID 103445508
phenyl-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methanol
CID 63850087
1,1-difluoro-3-[3-(2-methylpyrimidin-4-yl)-1,2,4-oxadiazol-5-yl]propan-2-ol
CID 113329701
[3-(3-methylimidazol-4-yl)-1,2,4-oxadiazol-5-yl]-phenylmethanol
CID 82903111
2-methoxy-2-[3-(2-methylpyrimidin-4-yl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 106109335
3,3-dimethyl-1-[3-(2-methylpyrimidin-4-yl)-1,2,4-oxadiazol-5-yl]butan-2-ol
CID 115531401
3-[3-(2-methylpyrimidin-4-yl)-1,2,4-oxadiazol-5-yl]benzene-1,2-diol
CID 136928477

Frequently Asked Questions

What is the IUPAC name of [3-(2-methylpyrimidin-4-yl)-1,2,4-oxadiazol-5-yl]-phenylmethanol?
The IUPAC name of [3-(2-methylpyrimidin-4-yl)-1,2,4-oxadiazol-5-yl]-phenylmethanol (CID 115531552) is [3-(2-methylpyrimidin-4-yl)-1,2,4-oxadiazol-5-yl]-phenylmethanol.
What is the SMILES notation for [3-(2-methylpyrimidin-4-yl)-1,2,4-oxadiazol-5-yl]-phenylmethanol?
The canonical SMILES for [3-(2-methylpyrimidin-4-yl)-1,2,4-oxadiazol-5-yl]-phenylmethanol is Cc1nccc(-c2noc(C(O)c3ccccc3)n2)n1.
What is the InChIKey of [3-(2-methylpyrimidin-4-yl)-1,2,4-oxadiazol-5-yl]-phenylmethanol?
The InChIKey is DNAWSFKTDBWABA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N4O2/c1-9-15-8-7-11(16-9)13-17-14(20-18-13)12(19)10-5-3-2-4-6-10/h2-8,12,19H,1H3.
What are the key properties of [3-(2-methylpyrimidin-4-yl)-1,2,4-oxadiazol-5-yl]-phenylmethanol?
[3-(2-methylpyrimidin-4-yl)-1,2,4-oxadiazol-5-yl]-phenylmethanol has a molecular weight of 268.28 g/mol, XLogP of 1.92, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2-methylpyrimidin-4-yl)-1,2,4-oxadiazol-5-yl]-phenylmethanol is sourced from PubChem (CID 115531552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).