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

C17H29N3O2 — CID 75473258

IUPAC[2-[[4-(3-ethyl-1,2,4-oxadiazol-5-yl)cyclohexyl]amino]-1-methylcyclopentyl]methanol
SMILESCCc1noc(C2CCC(NC3CCCC3(C)CO)CC2)n1
InChIInChI=1S/C17H29N3O2/c1-3-15-19-16(22-20-15)12-6-8-13(9-7-12)18-14-5-4-10-17(14,2)11-21/h12-14,18,21H,3-11H2,1-2H3
InChIKeyOHDMVFHUZJGYCW-UHFFFAOYSA-N
MW307.44 g/mol
LogP2.80
Rot. Bonds5

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

[2-[[4-(3-ethyl-1,2,4-oxadiazol-5-yl)cyclohexyl]amino]-1-methylcyclopentyl]methanol (PubChem CID 75473258) has the molecular formula C17H29N3O2 and a molecular weight of 307.44 g/mol. Its IUPAC name is [2-[[4-(3-ethyl-1,2,4-oxadiazol-5-yl)cyclohexyl]amino]-1-methylcyclopentyl]methanol.

Molecular Properties

Compound Name[2-[[4-(3-ethyl-1,2,4-oxadiazol-5-yl)cyclohexyl]amino]-1-methylcyclopentyl]methanol
PubChem CID75473258
Molecular FormulaC17H29N3O2
Molecular Weight307.44 g/mol
Exact Mass307.23
IUPAC Name[2-[[4-(3-ethyl-1,2,4-oxadiazol-5-yl)cyclohexyl]amino]-1-methylcyclopentyl]methanol
SMILESCCc1noc(C2CCC(NC3CCCC3(C)CO)CC2)n1
InChIInChI=1S/C17H29N3O2/c1-3-15-19-16(22-20-15)12-6-8-13(9-7-12)18-14-5-4-10-17(14,2)11-21/h12-14,18,21H,3-11H2,1-2H3
InChIKeyOHDMVFHUZJGYCW-UHFFFAOYSA-N
XLogP2.80
TPSA71.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.44
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-[[4-(3-ethyl-1,2,4-oxadiazol-5-yl)cyclohexyl]amino]-1-methylcyclopentyl]methanol?
The IUPAC name of [2-[[4-(3-ethyl-1,2,4-oxadiazol-5-yl)cyclohexyl]amino]-1-methylcyclopentyl]methanol (CID 75473258) is [2-[[4-(3-ethyl-1,2,4-oxadiazol-5-yl)cyclohexyl]amino]-1-methylcyclopentyl]methanol.
What is the SMILES notation for [2-[[4-(3-ethyl-1,2,4-oxadiazol-5-yl)cyclohexyl]amino]-1-methylcyclopentyl]methanol?
The canonical SMILES for [2-[[4-(3-ethyl-1,2,4-oxadiazol-5-yl)cyclohexyl]amino]-1-methylcyclopentyl]methanol is CCc1noc(C2CCC(NC3CCCC3(C)CO)CC2)n1.
What is the InChIKey of [2-[[4-(3-ethyl-1,2,4-oxadiazol-5-yl)cyclohexyl]amino]-1-methylcyclopentyl]methanol?
The InChIKey is OHDMVFHUZJGYCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3O2/c1-3-15-19-16(22-20-15)12-6-8-13(9-7-12)18-14-5-4-10-17(14,2)11-21/h12-14,18,21H,3-11H2,1-2H3.
What are the key properties of [2-[[4-(3-ethyl-1,2,4-oxadiazol-5-yl)cyclohexyl]amino]-1-methylcyclopentyl]methanol?
[2-[[4-(3-ethyl-1,2,4-oxadiazol-5-yl)cyclohexyl]amino]-1-methylcyclopentyl]methanol has a molecular weight of 307.44 g/mol, XLogP of 2.80, 5 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]-1-methylcyclopentyl]methanol is sourced from PubChem (CID 75473258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).