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

C16H21N3O2 — CID 133483845

IUPAC2-methyl-2-[[(5-phenyl-1,2,4-oxadiazol-3-yl)amino]methyl]cyclohexan-1-ol
SMILESCC1(CNc2noc(-c3ccccc3)n2)CCCCC1O
InChIInChI=1S/C16H21N3O2/c1-16(10-6-5-9-13(16)20)11-17-15-18-14(21-19-15)12-7-3-2-4-8-12/h2-4,7-8,13,20H,5-6,9-11H2,1H3,(H,17,19)
InChIKeyYTJZKLLUNQEMAW-UHFFFAOYSA-N
MW287.36 g/mol
LogP3.09
Rot. Bonds4

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

2-methyl-2-[[(5-phenyl-1,2,4-oxadiazol-3-yl)amino]methyl]cyclohexan-1-ol (PubChem CID 133483845) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is 2-methyl-2-[[(5-phenyl-1,2,4-oxadiazol-3-yl)amino]methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name2-methyl-2-[[(5-phenyl-1,2,4-oxadiazol-3-yl)amino]methyl]cyclohexan-1-ol
PubChem CID133483845
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC Name2-methyl-2-[[(5-phenyl-1,2,4-oxadiazol-3-yl)amino]methyl]cyclohexan-1-ol
SMILESCC1(CNc2noc(-c3ccccc3)n2)CCCCC1O
InChIInChI=1S/C16H21N3O2/c1-16(10-6-5-9-13(16)20)11-17-15-18-14(21-19-15)12-7-3-2-4-8-12/h2-4,7-8,13,20H,5-6,9-11H2,1H3,(H,17,19)
InChIKeyYTJZKLLUNQEMAW-UHFFFAOYSA-N
XLogP3.09
TPSA71.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[[(5-phenyl-1,2,4-oxadiazol-3-yl)amino]methyl]cyclohexan-1-ol?
The IUPAC name of 2-methyl-2-[[(5-phenyl-1,2,4-oxadiazol-3-yl)amino]methyl]cyclohexan-1-ol (CID 133483845) is 2-methyl-2-[[(5-phenyl-1,2,4-oxadiazol-3-yl)amino]methyl]cyclohexan-1-ol.
What is the SMILES notation for 2-methyl-2-[[(5-phenyl-1,2,4-oxadiazol-3-yl)amino]methyl]cyclohexan-1-ol?
The canonical SMILES for 2-methyl-2-[[(5-phenyl-1,2,4-oxadiazol-3-yl)amino]methyl]cyclohexan-1-ol is CC1(CNc2noc(-c3ccccc3)n2)CCCCC1O.
What is the InChIKey of 2-methyl-2-[[(5-phenyl-1,2,4-oxadiazol-3-yl)amino]methyl]cyclohexan-1-ol?
The InChIKey is YTJZKLLUNQEMAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-16(10-6-5-9-13(16)20)11-17-15-18-14(21-19-15)12-7-3-2-4-8-12/h2-4,7-8,13,20H,5-6,9-11H2,1H3,(H,17,19).
What are the key properties of 2-methyl-2-[[(5-phenyl-1,2,4-oxadiazol-3-yl)amino]methyl]cyclohexan-1-ol?
2-methyl-2-[[(5-phenyl-1,2,4-oxadiazol-3-yl)amino]methyl]cyclohexan-1-ol has a molecular weight of 287.36 g/mol, XLogP of 3.09, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[[(5-phenyl-1,2,4-oxadiazol-3-yl)amino]methyl]cyclohexan-1-ol is sourced from PubChem (CID 133483845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).