4-[[3-(4-methyl-3-pyridinyl)-1,2,4-oxadiazol-5-yl]methyl]phenol

C15H13N3O2 — CID 114878987

IUPAC4-[[3-(4-methyl-3-pyridinyl)-1,2,4-oxadiazol-5-yl]methyl]phenol
SMILESCc1ccncc1-c1noc(Cc2ccc(O)cc2)n1
InChIInChI=1S/C15H13N3O2/c1-10-6-7-16-9-13(10)15-17-14(20-18-15)8-11-2-4-12(19)5-3-11/h2-7,9,19H,8H2,1H3
InChIKeyVKFULALLKSGQMY-UHFFFAOYSA-N
MW267.29 g/mol
LogP2.74
Rot. Bonds3

About 4-[[3-(4-methyl-3-pyridinyl)-1,2,4-oxadiazol-5-yl]methyl]phenol

4-[[3-(4-methyl-3-pyridinyl)-1,2,4-oxadiazol-5-yl]methyl]phenol (PubChem CID 114878987) has the molecular formula C15H13N3O2 and a molecular weight of 267.29 g/mol. Its IUPAC name is 4-[[3-(4-methyl-3-pyridinyl)-1,2,4-oxadiazol-5-yl]methyl]phenol.

Molecular Properties

Compound Name4-[[3-(4-methyl-3-pyridinyl)-1,2,4-oxadiazol-5-yl]methyl]phenol
PubChem CID114878987
Molecular FormulaC15H13N3O2
Molecular Weight267.29 g/mol
Exact Mass267.10
IUPAC Name4-[[3-(4-methyl-3-pyridinyl)-1,2,4-oxadiazol-5-yl]methyl]phenol
SMILESCc1ccncc1-c1noc(Cc2ccc(O)cc2)n1
InChIInChI=1S/C15H13N3O2/c1-10-6-7-16-9-13(10)15-17-14(20-18-15)8-11-2-4-12(19)5-3-11/h2-7,9,19H,8H2,1H3
InChIKeyVKFULALLKSGQMY-UHFFFAOYSA-N
XLogP2.74
TPSA72.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.29
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

O-[[3-(4-methyl-3-pyridinyl)-1,2,4-oxadiazol-5-yl]methyl]hydroxylamine
CID 114876733
4-[[3-(4-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]phenol
CID 81273431
N-methyl-3-[3-(4-methyl-3-pyridinyl)-1,2,4-oxadiazol-5-yl]propan-1-amine
CID 114876515
2-[3-(4-methyl-3-pyridinyl)-1,2,4-oxadiazol-5-yl]benzene-1,4-diol
CID 136904315
4-[[3-(2-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl]phenol
CID 63844567
5-[3-(4-methyl-3-pyridinyl)-1,2,4-oxadiazol-5-yl]benzene-1,3-diol
CID 107707047
5-[(4-methylphenyl)methyl]-3-pyridin-4-yl-1,2,4-oxadiazole
CID 895193
N-methyl-1-[[3-(4-methyl-3-pyridinyl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexan-1-amine
CID 114877017
2-[3-(4-methyl-3-pyridinyl)-1,2,4-oxadiazol-5-yl]-1-phenylethanamine
CID 114876703
4-[[3-(1-methylpyrazol-3-yl)-1,2,4-oxadiazol-5-yl]methyl]phenol
CID 65199728
2-[[3-(4-methyl-3-pyridinyl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexan-1-amine
CID 106483708
4-[[3-(2-chloro-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]phenol
CID 63845942

Frequently Asked Questions

What is the IUPAC name of 4-[[3-(4-methyl-3-pyridinyl)-1,2,4-oxadiazol-5-yl]methyl]phenol?
The IUPAC name of 4-[[3-(4-methyl-3-pyridinyl)-1,2,4-oxadiazol-5-yl]methyl]phenol (CID 114878987) is 4-[[3-(4-methyl-3-pyridinyl)-1,2,4-oxadiazol-5-yl]methyl]phenol.
What is the SMILES notation for 4-[[3-(4-methyl-3-pyridinyl)-1,2,4-oxadiazol-5-yl]methyl]phenol?
The canonical SMILES for 4-[[3-(4-methyl-3-pyridinyl)-1,2,4-oxadiazol-5-yl]methyl]phenol is Cc1ccncc1-c1noc(Cc2ccc(O)cc2)n1.
What is the InChIKey of 4-[[3-(4-methyl-3-pyridinyl)-1,2,4-oxadiazol-5-yl]methyl]phenol?
The InChIKey is VKFULALLKSGQMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O2/c1-10-6-7-16-9-13(10)15-17-14(20-18-15)8-11-2-4-12(19)5-3-11/h2-7,9,19H,8H2,1H3.
What are the key properties of 4-[[3-(4-methyl-3-pyridinyl)-1,2,4-oxadiazol-5-yl]methyl]phenol?
4-[[3-(4-methyl-3-pyridinyl)-1,2,4-oxadiazol-5-yl]methyl]phenol has a molecular weight of 267.29 g/mol, XLogP of 2.74, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-(4-methyl-3-pyridinyl)-1,2,4-oxadiazol-5-yl]methyl]phenol is sourced from PubChem (CID 114878987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).