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

C15H24N6O2 — CID 128969910

IUPAC2-[1-[(1R,2S)-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]cyclohexyl]triazol-4-yl]propan-2-ol
SMILESCc1nc(CN[C@H]2CCCC[C@H]2n2cc(C(C)(C)O)nn2)no1
InChIInChI=1S/C15H24N6O2/c1-10-17-14(19-23-10)8-16-11-6-4-5-7-12(11)21-9-13(18-20-21)15(2,3)22/h9,11-12,16,22H,4-8H2,1-3H3/t11-,12+/m0/s1
InChIKeyALRQESUXRUNEKN-NWDGAFQWSA-N
MW320.40 g/mol
LogP1.47
Rot. Bonds5

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

2-[1-[(1R,2S)-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]cyclohexyl]triazol-4-yl]propan-2-ol (PubChem CID 128969910) has the molecular formula C15H24N6O2 and a molecular weight of 320.40 g/mol. Its IUPAC name is 2-[1-[(1R,2S)-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]cyclohexyl]triazol-4-yl]propan-2-ol.

Molecular Properties

Compound Name2-[1-[(1R,2S)-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]cyclohexyl]triazol-4-yl]propan-2-ol
PubChem CID128969910
Molecular FormulaC15H24N6O2
Molecular Weight320.40 g/mol
Exact Mass320.20
IUPAC Name2-[1-[(1R,2S)-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]cyclohexyl]triazol-4-yl]propan-2-ol
SMILESCc1nc(CN[C@H]2CCCC[C@H]2n2cc(C(C)(C)O)nn2)no1
InChIInChI=1S/C15H24N6O2/c1-10-17-14(19-23-10)8-16-11-6-4-5-7-12(11)21-9-13(18-20-21)15(2,3)22/h9,11-12,16,22H,4-8H2,1-3H3/t11-,12+/m0/s1
InChIKeyALRQESUXRUNEKN-NWDGAFQWSA-N
XLogP1.47
TPSA101.89 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.40
LogP ≤ 51.47
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-methyl-1,2,4-oxadiazol-3-yl)methylamino]cyclohexyl]triazol-4-yl]propan-2-ol?
The IUPAC name of 2-[1-[(1R,2S)-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]cyclohexyl]triazol-4-yl]propan-2-ol (CID 128969910) is 2-[1-[(1R,2S)-2-[(5-methyl-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-methyl-1,2,4-oxadiazol-3-yl)methylamino]cyclohexyl]triazol-4-yl]propan-2-ol?
The canonical SMILES for 2-[1-[(1R,2S)-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]cyclohexyl]triazol-4-yl]propan-2-ol is Cc1nc(CN[C@H]2CCCC[C@H]2n2cc(C(C)(C)O)nn2)no1.
What is the InChIKey of 2-[1-[(1R,2S)-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]cyclohexyl]triazol-4-yl]propan-2-ol?
The InChIKey is ALRQESUXRUNEKN-NWDGAFQWSA-N. The full InChI is InChI=1S/C15H24N6O2/c1-10-17-14(19-23-10)8-16-11-6-4-5-7-12(11)21-9-13(18-20-21)15(2,3)22/h9,11-12,16,22H,4-8H2,1-3H3/t11-,12+/m0/s1.
What are the key properties of 2-[1-[(1R,2S)-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]cyclohexyl]triazol-4-yl]propan-2-ol?
2-[1-[(1R,2S)-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]cyclohexyl]triazol-4-yl]propan-2-ol has a molecular weight of 320.40 g/mol, XLogP of 1.47, 5 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-methyl-1,2,4-oxadiazol-3-yl)methylamino]cyclohexyl]triazol-4-yl]propan-2-ol is sourced from PubChem (CID 128969910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).