4-[3-[(4-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]cyclohexan-1-ol

C16H20N2O3 — CID 63349298

IUPAC4-[3-[(4-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]cyclohexan-1-ol
SMILESCOc1ccc(Cc2noc(C3CCC(O)CC3)n2)cc1
InChIInChI=1S/C16H20N2O3/c1-20-14-8-2-11(3-9-14)10-15-17-16(21-18-15)12-4-6-13(19)7-5-12/h2-3,8-9,12-13,19H,4-7,10H2,1H3
InChIKeyDRSIVGNBJZTLLX-UHFFFAOYSA-N
MW288.35 g/mol
LogP2.69
Rot. Bonds4

About 4-[3-[(4-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]cyclohexan-1-ol

4-[3-[(4-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]cyclohexan-1-ol (PubChem CID 63349298) has the molecular formula C16H20N2O3 and a molecular weight of 288.35 g/mol. Its IUPAC name is 4-[3-[(4-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]cyclohexan-1-ol.

Molecular Properties

Compound Name4-[3-[(4-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]cyclohexan-1-ol
PubChem CID63349298
Molecular FormulaC16H20N2O3
Molecular Weight288.35 g/mol
Exact Mass288.15
IUPAC Name4-[3-[(4-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]cyclohexan-1-ol
SMILESCOc1ccc(Cc2noc(C3CCC(O)CC3)n2)cc1
InChIInChI=1S/C16H20N2O3/c1-20-14-8-2-11(3-9-14)10-15-17-16(21-18-15)12-4-6-13(19)7-5-12/h2-3,8-9,12-13,19H,4-7,10H2,1H3
InChIKeyDRSIVGNBJZTLLX-UHFFFAOYSA-N
XLogP2.69
TPSA68.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[4-[3-[(4-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]piperidin-1-yl] 2,2-dimethylpropanoate
CID 174494901
3-[(4-methoxyphenyl)methyl]-5-[(3R)-pyrrolidin-3-yl]-1,2,4-oxadiazole;hydrochloride
CID 120838644
tert-butyl formate;3-[(4-methoxyphenyl)methyl]-5-piperidin-4-yl-1,2,4-oxadiazole
CID 174494902
3-[(4-methoxyphenyl)methyl]-5-[(2S,3S)-3-phenyloxolan-2-yl]-1,2,4-oxadiazole
CID 128994621
1-[4-[3-[[4-(trifluoromethoxy)phenyl]methyl]-1,2,4-oxadiazol-5-yl]piperidin-1-yl]ethanone
CID 142004042
4-[3-[(2-chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]cyclohexan-1-ol
CID 63349683
3-[(4-methoxyphenyl)methyl]-5-methyl-1,2,4-oxadiazole
CID 12762723
2-[3-[3-[(4-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]azetidin-1-yl]benzonitrile
CID 126837723
3-[3-[(3-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine
CID 66031999
N-[(1S,3S)-3-[3-[(4-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]cyclopentyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine
CID 11646816
2-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-5,8-dimethoxy-3,4-dihydro-1H-isoquinolin-4-ol
CID 56798625
N-[[3-[(4-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]cyclopropanamine
CID 61374743

Frequently Asked Questions

What is the IUPAC name of 4-[3-[(4-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]cyclohexan-1-ol?
The IUPAC name of 4-[3-[(4-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]cyclohexan-1-ol (CID 63349298) is 4-[3-[(4-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]cyclohexan-1-ol.
What is the SMILES notation for 4-[3-[(4-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]cyclohexan-1-ol?
The canonical SMILES for 4-[3-[(4-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]cyclohexan-1-ol is COc1ccc(Cc2noc(C3CCC(O)CC3)n2)cc1.
What is the InChIKey of 4-[3-[(4-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]cyclohexan-1-ol?
The InChIKey is DRSIVGNBJZTLLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O3/c1-20-14-8-2-11(3-9-14)10-15-17-16(21-18-15)12-4-6-13(19)7-5-12/h2-3,8-9,12-13,19H,4-7,10H2,1H3.
What are the key properties of 4-[3-[(4-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]cyclohexan-1-ol?
4-[3-[(4-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]cyclohexan-1-ol has a molecular weight of 288.35 g/mol, XLogP of 2.69, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[(4-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]cyclohexan-1-ol is sourced from PubChem (CID 63349298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).