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

C16H20N2O2 — CID 136751119

IUPAC2-methyl-4-[3-(4-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]phenol
SMILESCc1cc(-c2nc(C3CCC(C)CC3)no2)ccc1O
InChIInChI=1S/C16H20N2O2/c1-10-3-5-12(6-4-10)15-17-16(20-18-15)13-7-8-14(19)11(2)9-13/h7-10,12,19H,3-6H2,1-2H3
InChIKeyKKRAXUBWUSJFDP-UHFFFAOYSA-N
MW272.35 g/mol
LogP4.04
Rot. Bonds2

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

2-methyl-4-[3-(4-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]phenol (PubChem CID 136751119) has the molecular formula C16H20N2O2 and a molecular weight of 272.35 g/mol. Its IUPAC name is 2-methyl-4-[3-(4-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]phenol.

Molecular Properties

Compound Name2-methyl-4-[3-(4-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]phenol
PubChem CID136751119
Molecular FormulaC16H20N2O2
Molecular Weight272.35 g/mol
Exact Mass272.15
IUPAC Name2-methyl-4-[3-(4-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]phenol
SMILESCc1cc(-c2nc(C3CCC(C)CC3)no2)ccc1O
InChIInChI=1S/C16H20N2O2/c1-10-3-5-12(6-4-10)15-17-16(20-18-15)13-7-8-14(19)11(2)9-13/h7-10,12,19H,3-6H2,1-2H3
InChIKeyKKRAXUBWUSJFDP-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-2-[3-(4-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]phenol
CID 136789902
5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-methoxyphenol
CID 79732351
2-methoxy-5-[3-(4-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]aniline
CID 63743445
2-methyl-4-[3-(4-methylthiomorpholin-3-yl)-1,2,4-oxadiazol-5-yl]phenol
CID 136751355
2-methyl-4-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]phenol
CID 136751251
4-[3-(2,2-dimethylcyclopropyl)-1,2,4-oxadiazol-5-yl]benzene-1,2-diol
CID 136889877
5-[3-(3-ethylcyclopentyl)-1,2,4-oxadiazol-5-yl]-2-methylaniline
CID 65412668
4-[3-(1,1-dioxothiolan-3-yl)-1,2,4-oxadiazol-5-yl]-2-methoxyphenol
CID 136965642
2-amino-4-[3-(thiolan-2-yl)-1,2,4-oxadiazol-5-yl]phenol
CID 136872316
N-[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-methylphenyl]oxazinane-2-carboxamide
CID 154756064
4-[3-(1,1-dioxothiolan-3-yl)-1,2,4-oxadiazol-5-yl]-2-methylaniline
CID 115335909
5-(2-chloro-4-pyridinyl)-3-cyclopropyl-1,2,4-oxadiazole
CID 53353035

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-[3-(4-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]phenol?
The IUPAC name of 2-methyl-4-[3-(4-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]phenol (CID 136751119) is 2-methyl-4-[3-(4-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]phenol.
What is the SMILES notation for 2-methyl-4-[3-(4-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]phenol?
The canonical SMILES for 2-methyl-4-[3-(4-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]phenol is Cc1cc(-c2nc(C3CCC(C)CC3)no2)ccc1O.
What is the InChIKey of 2-methyl-4-[3-(4-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]phenol?
The InChIKey is KKRAXUBWUSJFDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2/c1-10-3-5-12(6-4-10)15-17-16(20-18-15)13-7-8-14(19)11(2)9-13/h7-10,12,19H,3-6H2,1-2H3.
What are the key properties of 2-methyl-4-[3-(4-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]phenol?
2-methyl-4-[3-(4-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 2-methyl-4-[3-(4-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]phenol is sourced from PubChem (CID 136751119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).