2-[methyl-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]amino]cyclohexan-1-ol

C16H21N3O2 — CID 102636527

IUPAC2-[methyl-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]amino]cyclohexan-1-ol
SMILESCN(Cc1nnc(-c2ccccc2)o1)C1CCCCC1O
InChIInChI=1S/C16H21N3O2/c1-19(13-9-5-6-10-14(13)20)11-15-17-18-16(21-15)12-7-3-2-4-8-12/h2-4,7-8,13-14,20H,5-6,9-11H2,1H3
InChIKeySCXYDTXOZOVRMM-UHFFFAOYSA-N
MW287.36 g/mol
LogP2.47
Rot. Bonds4

About 2-[methyl-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]amino]cyclohexan-1-ol

2-[methyl-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]amino]cyclohexan-1-ol (PubChem CID 102636527) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is 2-[methyl-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]amino]cyclohexan-1-ol.

Molecular Properties

Compound Name2-[methyl-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]amino]cyclohexan-1-ol
PubChem CID102636527
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC Name2-[methyl-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]amino]cyclohexan-1-ol
SMILESCN(Cc1nnc(-c2ccccc2)o1)C1CCCCC1O
InChIInChI=1S/C16H21N3O2/c1-19(13-9-5-6-10-14(13)20)11-15-17-18-16(21-15)12-7-3-2-4-8-12/h2-4,7-8,13-14,20H,5-6,9-11H2,1H3
InChIKeySCXYDTXOZOVRMM-UHFFFAOYSA-N
XLogP2.47
TPSA62.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]amino]cyclohexan-1-ol?
The IUPAC name of 2-[methyl-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]amino]cyclohexan-1-ol (CID 102636527) is 2-[methyl-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]amino]cyclohexan-1-ol.
What is the SMILES notation for 2-[methyl-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]amino]cyclohexan-1-ol?
The canonical SMILES for 2-[methyl-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]amino]cyclohexan-1-ol is CN(Cc1nnc(-c2ccccc2)o1)C1CCCCC1O.
What is the InChIKey of 2-[methyl-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]amino]cyclohexan-1-ol?
The InChIKey is SCXYDTXOZOVRMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-19(13-9-5-6-10-14(13)20)11-15-17-18-16(21-15)12-7-3-2-4-8-12/h2-4,7-8,13-14,20H,5-6,9-11H2,1H3.
What are the key properties of 2-[methyl-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]amino]cyclohexan-1-ol?
2-[methyl-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]amino]cyclohexan-1-ol has a molecular weight of 287.36 g/mol, XLogP of 2.47, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]amino]cyclohexan-1-ol is sourced from PubChem (CID 102636527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).