2-[[6-[[4-(3-ethyl-1,2,4-oxadiazol-5-yl)cyclohexyl]amino]-3-pyridinyl]-methylamino]ethanol

C18H27N5O2 — CID 110013500

IUPAC2-[[6-[[4-(3-ethyl-1,2,4-oxadiazol-5-yl)cyclohexyl]amino]-3-pyridinyl]-methylamino]ethanol
SMILESCCc1noc(C2CCC(Nc3ccc(N(C)CCO)cn3)CC2)n1
InChIInChI=1S/C18H27N5O2/c1-3-16-21-18(25-22-16)13-4-6-14(7-5-13)20-17-9-8-15(12-19-17)23(2)10-11-24/h8-9,12-14,24H,3-7,10-11H2,1-2H3,(H,19,20)
InChIKeyGVFUZFCBWFEWHF-UHFFFAOYSA-N
MW345.45 g/mol
LogP2.59
Rot. Bonds7

About 2-[[6-[[4-(3-ethyl-1,2,4-oxadiazol-5-yl)cyclohexyl]amino]-3-pyridinyl]-methylamino]ethanol

2-[[6-[[4-(3-ethyl-1,2,4-oxadiazol-5-yl)cyclohexyl]amino]-3-pyridinyl]-methylamino]ethanol (PubChem CID 110013500) has the molecular formula C18H27N5O2 and a molecular weight of 345.45 g/mol. Its IUPAC name is 2-[[6-[[4-(3-ethyl-1,2,4-oxadiazol-5-yl)cyclohexyl]amino]-3-pyridinyl]-methylamino]ethanol.

Molecular Properties

Compound Name2-[[6-[[4-(3-ethyl-1,2,4-oxadiazol-5-yl)cyclohexyl]amino]-3-pyridinyl]-methylamino]ethanol
PubChem CID110013500
Molecular FormulaC18H27N5O2
Molecular Weight345.45 g/mol
Exact Mass345.22
IUPAC Name2-[[6-[[4-(3-ethyl-1,2,4-oxadiazol-5-yl)cyclohexyl]amino]-3-pyridinyl]-methylamino]ethanol
SMILESCCc1noc(C2CCC(Nc3ccc(N(C)CCO)cn3)CC2)n1
InChIInChI=1S/C18H27N5O2/c1-3-16-21-18(25-22-16)13-4-6-14(7-5-13)20-17-9-8-15(12-19-17)23(2)10-11-24/h8-9,12-14,24H,3-7,10-11H2,1-2H3,(H,19,20)
InChIKeyGVFUZFCBWFEWHF-UHFFFAOYSA-N
XLogP2.59
TPSA87.31 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.45
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-[[6-[[4-(3-ethyl-1,2,4-oxadiazol-5-yl)cyclohexyl]amino]-3-pyridinyl]-methylamino]ethanol with MolForge

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Launch Full Analysis

Related Compounds

2-[[5-[[4-(3-ethyl-1,2,4-oxadiazol-5-yl)cyclohexyl]amino]-2-pyridinyl]oxy]ethanol
CID 110013550
2-[methyl-[6-[[1-(oxolan-3-yl)piperidin-4-yl]amino]-3-pyridinyl]amino]ethanol
CID 131963964
[2-[[[4-(3-ethyl-1,2,4-oxadiazol-5-yl)cyclohexyl]amino]methyl]phenyl]methanol
CID 110013138
3-[[[4-(3-ethyl-1,2,4-oxadiazol-5-yl)cyclohexyl]amino]methyl]pentan-1-ol
CID 110013337
[2-[[4-(3-ethyl-1,2,4-oxadiazol-5-yl)cyclohexyl]amino]-1-methylcyclopentyl]methanol
CID 75473258
3-[[4-(3-ethyl-1,2,4-oxadiazol-5-yl)cyclohexyl]amino]-4-methylsulfanylbutan-1-ol
CID 110012282
N-[4-[3-(2-ethylsulfonylethyl)-1,2,4-oxadiazol-5-yl]cyclohexyl]pyrazin-2-amine
CID 167940569
4-(3-ethyl-1,2,4-oxadiazol-5-yl)cyclohexan-1-amine
CID 60812048
6-[[[4-(3-ethyl-1,2,4-oxadiazol-5-yl)cyclohexyl]amino]methyl]pyridine-3-carbonitrile
CID 138042647
N-[6-(cyclopropylamino)-3-pyridinyl]-N-methylcyclopropanecarboxamide
CID 115268661
2-[butyl-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]amino]ethanol
CID 61360390
5-[[4-(3-ethyl-1,2,4-oxadiazol-5-yl)cyclohexyl]amino]-1-methyl-3H-indol-2-one
CID 154755113

Frequently Asked Questions

What is the IUPAC name of 2-[[6-[[4-(3-ethyl-1,2,4-oxadiazol-5-yl)cyclohexyl]amino]-3-pyridinyl]-methylamino]ethanol?
The IUPAC name of 2-[[6-[[4-(3-ethyl-1,2,4-oxadiazol-5-yl)cyclohexyl]amino]-3-pyridinyl]-methylamino]ethanol (CID 110013500) is 2-[[6-[[4-(3-ethyl-1,2,4-oxadiazol-5-yl)cyclohexyl]amino]-3-pyridinyl]-methylamino]ethanol.
What is the SMILES notation for 2-[[6-[[4-(3-ethyl-1,2,4-oxadiazol-5-yl)cyclohexyl]amino]-3-pyridinyl]-methylamino]ethanol?
The canonical SMILES for 2-[[6-[[4-(3-ethyl-1,2,4-oxadiazol-5-yl)cyclohexyl]amino]-3-pyridinyl]-methylamino]ethanol is CCc1noc(C2CCC(Nc3ccc(N(C)CCO)cn3)CC2)n1.
What is the InChIKey of 2-[[6-[[4-(3-ethyl-1,2,4-oxadiazol-5-yl)cyclohexyl]amino]-3-pyridinyl]-methylamino]ethanol?
The InChIKey is GVFUZFCBWFEWHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N5O2/c1-3-16-21-18(25-22-16)13-4-6-14(7-5-13)20-17-9-8-15(12-19-17)23(2)10-11-24/h8-9,12-14,24H,3-7,10-11H2,1-2H3,(H,19,20).
What are the key properties of 2-[[6-[[4-(3-ethyl-1,2,4-oxadiazol-5-yl)cyclohexyl]amino]-3-pyridinyl]-methylamino]ethanol?
2-[[6-[[4-(3-ethyl-1,2,4-oxadiazol-5-yl)cyclohexyl]amino]-3-pyridinyl]-methylamino]ethanol has a molecular weight of 345.45 g/mol, XLogP of 2.59, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[6-[[4-(3-ethyl-1,2,4-oxadiazol-5-yl)cyclohexyl]amino]-3-pyridinyl]-methylamino]ethanol is sourced from PubChem (CID 110013500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).