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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Related Compounds

N-methyl-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-3-amine
CID 63641957
N-methyl-N-[[5-(4-phenylphenyl)-1,3,4-oxadiazol-2-yl]methyl]aniline
CID 162418406
1-[2-[methyl-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]amino]pyrimidin-4-yl]pyrrolidin-3-ol
CID 50951354
5-cyclohexyl-N-methyl-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-1H-pyrazole-4-carboxamide
CID 70709269
N-methyl-1-[5-(oxolan-2-yl)thiophen-2-yl]-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]methanamine
CID 77079897
N,N-dimethyl-2-[methyl-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]amino]acetamide
CID 34161725
2-ethyl-5-phenyl-1,3,4-oxadiazole
CID 12520828
cis-(1S,2R)-N-[[5-(2,5-dimethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]methyl]-N,2-dimethylcyclohexan-1-amine
CID 129446163
(2S)-1-[4-[[methyl-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]amino]methyl]piperidin-1-yl]propan-2-ol
CID 95352032
[2-[(5-phenyl-1,3,4-oxadiazol-2-yl)methylamino]cyclohexyl]methanol
CID 104934517
formic acid;N-methyl-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-1-pyrrolidin-1-ylcyclopentane-1-carboxamide
CID 154912620
4-methyl-1-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-3-ol
CID 103898404

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).