[2-[[[4-(3-ethyl-1,2,4-oxadiazol-5-yl)cyclohexyl]amino]methyl]phenyl]methanol

C18H25N3O2 — CID 110013138

IUPAC[2-[[[4-(3-ethyl-1,2,4-oxadiazol-5-yl)cyclohexyl]amino]methyl]phenyl]methanol
SMILESCCc1noc(C2CCC(NCc3ccccc3CO)CC2)n1
InChIInChI=1S/C18H25N3O2/c1-2-17-20-18(23-21-17)13-7-9-16(10-8-13)19-11-14-5-3-4-6-15(14)12-22/h3-6,13,16,19,22H,2,7-12H2,1H3
InChIKeyHQLDOGAPLQWTKO-UHFFFAOYSA-N
MW315.42 g/mol
LogP2.94
Rot. Bonds6

About [2-[[[4-(3-ethyl-1,2,4-oxadiazol-5-yl)cyclohexyl]amino]methyl]phenyl]methanol

[2-[[[4-(3-ethyl-1,2,4-oxadiazol-5-yl)cyclohexyl]amino]methyl]phenyl]methanol (PubChem CID 110013138) has the molecular formula C18H25N3O2 and a molecular weight of 315.42 g/mol. Its IUPAC name is [2-[[[4-(3-ethyl-1,2,4-oxadiazol-5-yl)cyclohexyl]amino]methyl]phenyl]methanol.

Molecular Properties

Compound Name[2-[[[4-(3-ethyl-1,2,4-oxadiazol-5-yl)cyclohexyl]amino]methyl]phenyl]methanol
PubChem CID110013138
Molecular FormulaC18H25N3O2
Molecular Weight315.42 g/mol
Exact Mass315.19
IUPAC Name[2-[[[4-(3-ethyl-1,2,4-oxadiazol-5-yl)cyclohexyl]amino]methyl]phenyl]methanol
SMILESCCc1noc(C2CCC(NCc3ccccc3CO)CC2)n1
InChIInChI=1S/C18H25N3O2/c1-2-17-20-18(23-21-17)13-7-9-16(10-8-13)19-11-14-5-3-4-6-15(14)12-22/h3-6,13,16,19,22H,2,7-12H2,1H3
InChIKeyHQLDOGAPLQWTKO-UHFFFAOYSA-N
XLogP2.94
TPSA71.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze [2-[[[4-(3-ethyl-1,2,4-oxadiazol-5-yl)cyclohexyl]amino]methyl]phenyl]methanol with MolForge

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Related Compounds

3-[[[4-(3-ethyl-1,2,4-oxadiazol-5-yl)cyclohexyl]amino]methyl]pentan-1-ol
CID 110013337
6-[[[4-(3-ethyl-1,2,4-oxadiazol-5-yl)cyclohexyl]amino]methyl]pyridine-3-carbonitrile
CID 138042647
[2-[(cyclopentylamino)methyl]phenyl]methanol;hydrochloride
CID 115592493
4-(3-ethyl-1,2,4-oxadiazol-5-yl)cyclohexan-1-amine
CID 60812048
2-(2,5-dimethylfuran-3-yl)-1-[[4-(3-ethyl-1,2,4-oxadiazol-5-yl)cyclohexyl]amino]propan-2-ol
CID 110012312
2-[[5-[[4-(3-ethyl-1,2,4-oxadiazol-5-yl)cyclohexyl]amino]-2-pyridinyl]oxy]ethanol
CID 110013550
3-[[4-(3-ethyl-1,2,4-oxadiazol-5-yl)cyclohexyl]amino]-4-methylsulfanylbutan-1-ol
CID 110012282
4-[3-[(2-chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]cyclohexan-1-ol
CID 63349683
[2-[[4-(3-ethyl-1,2,4-oxadiazol-5-yl)cyclohexyl]amino]-1-methylcyclopentyl]methanol
CID 75473258
2-[[6-[[4-(3-ethyl-1,2,4-oxadiazol-5-yl)cyclohexyl]amino]-3-pyridinyl]-methylamino]ethanol
CID 110013500
[5-(4-tert-butylcyclohexyl)-1,2,4-oxadiazol-3-yl]methanol
CID 102660490
N-ethyl-4-[3-(methylsulfonylmethyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine
CID 55202619

Frequently Asked Questions

What is the IUPAC name of [2-[[[4-(3-ethyl-1,2,4-oxadiazol-5-yl)cyclohexyl]amino]methyl]phenyl]methanol?
The IUPAC name of [2-[[[4-(3-ethyl-1,2,4-oxadiazol-5-yl)cyclohexyl]amino]methyl]phenyl]methanol (CID 110013138) is [2-[[[4-(3-ethyl-1,2,4-oxadiazol-5-yl)cyclohexyl]amino]methyl]phenyl]methanol.
What is the SMILES notation for [2-[[[4-(3-ethyl-1,2,4-oxadiazol-5-yl)cyclohexyl]amino]methyl]phenyl]methanol?
The canonical SMILES for [2-[[[4-(3-ethyl-1,2,4-oxadiazol-5-yl)cyclohexyl]amino]methyl]phenyl]methanol is CCc1noc(C2CCC(NCc3ccccc3CO)CC2)n1.
What is the InChIKey of [2-[[[4-(3-ethyl-1,2,4-oxadiazol-5-yl)cyclohexyl]amino]methyl]phenyl]methanol?
The InChIKey is HQLDOGAPLQWTKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O2/c1-2-17-20-18(23-21-17)13-7-9-16(10-8-13)19-11-14-5-3-4-6-15(14)12-22/h3-6,13,16,19,22H,2,7-12H2,1H3.
What are the key properties of [2-[[[4-(3-ethyl-1,2,4-oxadiazol-5-yl)cyclohexyl]amino]methyl]phenyl]methanol?
[2-[[[4-(3-ethyl-1,2,4-oxadiazol-5-yl)cyclohexyl]amino]methyl]phenyl]methanol has a molecular weight of 315.42 g/mol, XLogP of 2.94, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[[4-(3-ethyl-1,2,4-oxadiazol-5-yl)cyclohexyl]amino]methyl]phenyl]methanol is sourced from PubChem (CID 110013138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).