2-[1-[(1R,2S)-2-[(5-ethyl-1,2,4-oxadiazol-3-yl)methylamino]cyclohexyl]triazol-4-yl]propan-2-ol

C16H26N6O2 — CID 128991819

IUPAC2-[1-[(1R,2S)-2-[(5-ethyl-1,2,4-oxadiazol-3-yl)methylamino]cyclohexyl]triazol-4-yl]propan-2-ol
SMILESCCc1nc(CN[C@H]2CCCC[C@H]2n2cc(C(C)(C)O)nn2)no1
InChIInChI=1S/C16H26N6O2/c1-4-15-18-14(20-24-15)9-17-11-7-5-6-8-12(11)22-10-13(19-21-22)16(2,3)23/h10-12,17,23H,4-9H2,1-3H3/t11-,12+/m0/s1
InChIKeyUTZHESWDKFDCIM-NWDGAFQWSA-N
MW334.42 g/mol
LogP1.72
Rot. Bonds6

About 2-[1-[(1R,2S)-2-[(5-ethyl-1,2,4-oxadiazol-3-yl)methylamino]cyclohexyl]triazol-4-yl]propan-2-ol

2-[1-[(1R,2S)-2-[(5-ethyl-1,2,4-oxadiazol-3-yl)methylamino]cyclohexyl]triazol-4-yl]propan-2-ol (PubChem CID 128991819) has the molecular formula C16H26N6O2 and a molecular weight of 334.42 g/mol. Its IUPAC name is 2-[1-[(1R,2S)-2-[(5-ethyl-1,2,4-oxadiazol-3-yl)methylamino]cyclohexyl]triazol-4-yl]propan-2-ol.

Molecular Properties

Compound Name2-[1-[(1R,2S)-2-[(5-ethyl-1,2,4-oxadiazol-3-yl)methylamino]cyclohexyl]triazol-4-yl]propan-2-ol
PubChem CID128991819
Molecular FormulaC16H26N6O2
Molecular Weight334.42 g/mol
Exact Mass334.21
IUPAC Name2-[1-[(1R,2S)-2-[(5-ethyl-1,2,4-oxadiazol-3-yl)methylamino]cyclohexyl]triazol-4-yl]propan-2-ol
SMILESCCc1nc(CN[C@H]2CCCC[C@H]2n2cc(C(C)(C)O)nn2)no1
InChIInChI=1S/C16H26N6O2/c1-4-15-18-14(20-24-15)9-17-11-7-5-6-8-12(11)22-10-13(19-21-22)16(2,3)23/h10-12,17,23H,4-9H2,1-3H3/t11-,12+/m0/s1
InChIKeyUTZHESWDKFDCIM-NWDGAFQWSA-N
XLogP1.72
TPSA101.89 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[(1R,2S)-2-[(5-ethyl-1,2,4-oxadiazol-3-yl)methylamino]cyclohexyl]triazol-4-yl]propan-2-ol?
The IUPAC name of 2-[1-[(1R,2S)-2-[(5-ethyl-1,2,4-oxadiazol-3-yl)methylamino]cyclohexyl]triazol-4-yl]propan-2-ol (CID 128991819) is 2-[1-[(1R,2S)-2-[(5-ethyl-1,2,4-oxadiazol-3-yl)methylamino]cyclohexyl]triazol-4-yl]propan-2-ol.
What is the SMILES notation for 2-[1-[(1R,2S)-2-[(5-ethyl-1,2,4-oxadiazol-3-yl)methylamino]cyclohexyl]triazol-4-yl]propan-2-ol?
The canonical SMILES for 2-[1-[(1R,2S)-2-[(5-ethyl-1,2,4-oxadiazol-3-yl)methylamino]cyclohexyl]triazol-4-yl]propan-2-ol is CCc1nc(CN[C@H]2CCCC[C@H]2n2cc(C(C)(C)O)nn2)no1.
What is the InChIKey of 2-[1-[(1R,2S)-2-[(5-ethyl-1,2,4-oxadiazol-3-yl)methylamino]cyclohexyl]triazol-4-yl]propan-2-ol?
The InChIKey is UTZHESWDKFDCIM-NWDGAFQWSA-N. The full InChI is InChI=1S/C16H26N6O2/c1-4-15-18-14(20-24-15)9-17-11-7-5-6-8-12(11)22-10-13(19-21-22)16(2,3)23/h10-12,17,23H,4-9H2,1-3H3/t11-,12+/m0/s1.
What are the key properties of 2-[1-[(1R,2S)-2-[(5-ethyl-1,2,4-oxadiazol-3-yl)methylamino]cyclohexyl]triazol-4-yl]propan-2-ol?
2-[1-[(1R,2S)-2-[(5-ethyl-1,2,4-oxadiazol-3-yl)methylamino]cyclohexyl]triazol-4-yl]propan-2-ol has a molecular weight of 334.42 g/mol, XLogP of 1.72, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(1R,2S)-2-[(5-ethyl-1,2,4-oxadiazol-3-yl)methylamino]cyclohexyl]triazol-4-yl]propan-2-ol is sourced from PubChem (CID 128991819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).