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

C16H20N2O2 — CID 136751103

IUPAC3-methyl-4-[3-(3-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]phenol
SMILESCc1cc(O)ccc1-c1nc(C2CCCC(C)C2)no1
InChIInChI=1S/C16H20N2O2/c1-10-4-3-5-12(8-10)15-17-16(20-18-15)14-7-6-13(19)9-11(14)2/h6-7,9-10,12,19H,3-5,8H2,1-2H3
InChIKeyWWPJNLHSYKDEEE-UHFFFAOYSA-N
MW272.35 g/mol
LogP4.04
Rot. Bonds2

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

3-methyl-4-[3-(3-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]phenol (PubChem CID 136751103) has the molecular formula C16H20N2O2 and a molecular weight of 272.35 g/mol. Its IUPAC name is 3-methyl-4-[3-(3-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]phenol.

Molecular Properties

Compound Name3-methyl-4-[3-(3-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]phenol
PubChem CID136751103
Molecular FormulaC16H20N2O2
Molecular Weight272.35 g/mol
Exact Mass272.15
IUPAC Name3-methyl-4-[3-(3-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]phenol
SMILESCc1cc(O)ccc1-c1nc(C2CCCC(C)C2)no1
InChIInChI=1S/C16H20N2O2/c1-10-4-3-5-12(8-10)15-17-16(20-18-15)14-7-6-13(19)9-11(14)2/h6-7,9-10,12,19H,3-5,8H2,1-2H3
InChIKeyWWPJNLHSYKDEEE-UHFFFAOYSA-N
XLogP4.04
TPSA59.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-fluoro-4-[3-(3-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]phenol
CID 136827647
4-[3-(4-ethylcyclohexyl)-1,2,4-oxadiazol-5-yl]-3-methylphenol
CID 136751161
2-bromo-6-[3-(3-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]aniline
CID 63113320
4-[3-(3-ethylcyclopentyl)-1,2,4-oxadiazol-5-yl]benzene-1,3-diol
CID 136904152
3-[3-(3-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]benzoic acid
CID 62927064
4-[3-(oxolan-2-yl)-1,2,4-oxadiazol-5-yl]benzene-1,3-diol
CID 136904136
2-fluoro-4-[3-(3-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]aniline
CID 63188328
4-bromo-2-[3-(3-methylcyclopentyl)-1,2,4-oxadiazol-5-yl]aniline
CID 65400419
4-[3-(3-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-amine
CID 55116401
5-methyl-3-[3-(3-methylcyclopentyl)-1,2,4-oxadiazol-5-yl]thiophen-2-amine
CID 65401023
N,3-dimethyl-4-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]aniline
CID 146567941
4-[3-(cyclohexylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]-3-methylphenol
CID 136751149

Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-[3-(3-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]phenol?
The IUPAC name of 3-methyl-4-[3-(3-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]phenol (CID 136751103) is 3-methyl-4-[3-(3-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]phenol.
What is the SMILES notation for 3-methyl-4-[3-(3-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]phenol?
The canonical SMILES for 3-methyl-4-[3-(3-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]phenol is Cc1cc(O)ccc1-c1nc(C2CCCC(C)C2)no1.
What is the InChIKey of 3-methyl-4-[3-(3-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]phenol?
The InChIKey is WWPJNLHSYKDEEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2/c1-10-4-3-5-12(8-10)15-17-16(20-18-15)14-7-6-13(19)9-11(14)2/h6-7,9-10,12,19H,3-5,8H2,1-2H3.
What are the key properties of 3-methyl-4-[3-(3-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]phenol?
3-methyl-4-[3-(3-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]phenol has a molecular weight of 272.35 g/mol, XLogP of 4.04, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-[3-(3-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]phenol is sourced from PubChem (CID 136751103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).