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

C15H13N3O2 — CID 63845758

IUPAC2-methyl-5-[3-(pyridin-3-ylmethyl)-1,2,4-oxadiazol-5-yl]phenol
SMILESCc1ccc(-c2nc(Cc3cccnc3)no2)cc1O
InChIInChI=1S/C15H13N3O2/c1-10-4-5-12(8-13(10)19)15-17-14(18-20-15)7-11-3-2-6-16-9-11/h2-6,8-9,19H,7H2,1H3
InChIKeyDNAHQHPUDPCCOL-UHFFFAOYSA-N
MW267.29 g/mol
LogP2.74
Rot. Bonds3

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

2-methyl-5-[3-(pyridin-3-ylmethyl)-1,2,4-oxadiazol-5-yl]phenol (PubChem CID 63845758) has the molecular formula C15H13N3O2 and a molecular weight of 267.29 g/mol. Its IUPAC name is 2-methyl-5-[3-(pyridin-3-ylmethyl)-1,2,4-oxadiazol-5-yl]phenol.

Molecular Properties

Compound Name2-methyl-5-[3-(pyridin-3-ylmethyl)-1,2,4-oxadiazol-5-yl]phenol
PubChem CID63845758
Molecular FormulaC15H13N3O2
Molecular Weight267.29 g/mol
Exact Mass267.10
IUPAC Name2-methyl-5-[3-(pyridin-3-ylmethyl)-1,2,4-oxadiazol-5-yl]phenol
SMILESCc1ccc(-c2nc(Cc3cccnc3)no2)cc1O
InChIInChI=1S/C15H13N3O2/c1-10-4-5-12(8-13(10)19)15-17-14(18-20-15)7-11-3-2-6-16-9-11/h2-6,8-9,19H,7H2,1H3
InChIKeyDNAHQHPUDPCCOL-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

2-methyl-5-[3-[(3-methylphenyl)methyl]-1,2,4-oxadiazol-5-yl]phenol
CID 63844920
2-methyl-5-[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]phenol
CID 63847009
5-phenyl-3-(pyridin-3-ylmethyl)-1,2,4-oxadiazole
CID 110169330
2-methyl-5-[3-[(2-methylphenyl)methyl]-1,2,4-oxadiazol-5-yl]phenol
CID 63846134
4-methyl-3-[3-(pyridin-3-ylmethyl)-1,2,4-oxadiazol-5-yl]aniline
CID 63652464
2-chloro-5-[3-(pyridin-3-ylmethyl)-1,2,4-oxadiazol-5-yl]aniline
CID 62553257
2-methyl-5-[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]phenol
CID 63846099
2-methyl-5-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]phenol
CID 63844897
2-methyl-4-[3-[(4-methylphenyl)methyl]-1,2,4-oxadiazol-5-yl]phenol
CID 136751064
4-methyl-2-[3-(pyridin-3-ylmethyl)-1,2,4-oxadiazol-5-yl]aniline
CID 62553436
5-[3-(3-methoxypropyl)-1,2,4-oxadiazol-5-yl]-2-methylphenol
CID 65094056
2-methyl-5-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)phenol
CID 63850419

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[3-(pyridin-3-ylmethyl)-1,2,4-oxadiazol-5-yl]phenol?
The IUPAC name of 2-methyl-5-[3-(pyridin-3-ylmethyl)-1,2,4-oxadiazol-5-yl]phenol (CID 63845758) is 2-methyl-5-[3-(pyridin-3-ylmethyl)-1,2,4-oxadiazol-5-yl]phenol.
What is the SMILES notation for 2-methyl-5-[3-(pyridin-3-ylmethyl)-1,2,4-oxadiazol-5-yl]phenol?
The canonical SMILES for 2-methyl-5-[3-(pyridin-3-ylmethyl)-1,2,4-oxadiazol-5-yl]phenol is Cc1ccc(-c2nc(Cc3cccnc3)no2)cc1O.
What is the InChIKey of 2-methyl-5-[3-(pyridin-3-ylmethyl)-1,2,4-oxadiazol-5-yl]phenol?
The InChIKey is DNAHQHPUDPCCOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O2/c1-10-4-5-12(8-13(10)19)15-17-14(18-20-15)7-11-3-2-6-16-9-11/h2-6,8-9,19H,7H2,1H3.
What are the key properties of 2-methyl-5-[3-(pyridin-3-ylmethyl)-1,2,4-oxadiazol-5-yl]phenol?
2-methyl-5-[3-(pyridin-3-ylmethyl)-1,2,4-oxadiazol-5-yl]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 2-methyl-5-[3-(pyridin-3-ylmethyl)-1,2,4-oxadiazol-5-yl]phenol is sourced from PubChem (CID 63845758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).