trans-(1R,2R)-N-[[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]-2-methylcyclohexan-1-amine

C17H23N3O2 — CID 99716150

IUPACtrans-(1R,2R)-N-[[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]-2-methylcyclohexan-1-amine
SMILESCOc1ccccc1-c1nnc(CN[C@@H]2CCCC[C@H]2C)o1
InChIInChI=1S/C17H23N3O2/c1-12-7-3-5-9-14(12)18-11-16-19-20-17(22-16)13-8-4-6-10-15(13)21-2/h4,6,8,10,12,14,18H,3,5,7,9,11H2,1-2H3/t12-,14-/m1/s1
InChIKeyCRWYEIAFULYWPF-TZMCWYRMSA-N
MW301.39 g/mol
LogP3.41
Rot. Bonds5

About trans-(1R,2R)-N-[[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]-2-methylcyclohexan-1-amine

trans-(1R,2R)-N-[[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]-2-methylcyclohexan-1-amine (PubChem CID 99716150) has the molecular formula C17H23N3O2 and a molecular weight of 301.39 g/mol. Its IUPAC name is trans-(1R,2R)-N-[[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]-2-methylcyclohexan-1-amine.

Molecular Properties

Compound Nametrans-(1R,2R)-N-[[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]-2-methylcyclohexan-1-amine
PubChem CID99716150
Molecular FormulaC17H23N3O2
Molecular Weight301.39 g/mol
Exact Mass301.18
IUPAC Nametrans-(1R,2R)-N-[[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]-2-methylcyclohexan-1-amine
SMILESCOc1ccccc1-c1nnc(CN[C@@H]2CCCC[C@H]2C)o1
InChIInChI=1S/C17H23N3O2/c1-12-7-3-5-9-14(12)18-11-16-19-20-17(22-16)13-8-4-6-10-15(13)21-2/h4,6,8,10,12,14,18H,3,5,7,9,11H2,1-2H3/t12-,14-/m1/s1
InChIKeyCRWYEIAFULYWPF-TZMCWYRMSA-N
XLogP3.41
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze trans-(1R,2R)-N-[[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]-2-methylcyclohexan-1-amine with MolForge

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Related Compounds

N-[[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]oxolane-2-carboxamide
CID 110319883
N-[[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]-4-methylaniline
CID 110652632
N-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl]-2-methyloxolan-3-amine
CID 82725575
N-[[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]-1-(4-methylphenyl)methanamine
CID 110652564
N-[[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]-2,4,6-trimethylaniline
CID 110652646
N-[[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]-4-piperidin-1-ylaniline
CID 110652691
4-[[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methylamino]benzonitrile
CID 110652725
2-methoxy-N-[[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]-5-methylaniline
CID 110652671
2-methyl-N-[[5-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1,3,4-oxadiazol-2-yl]methyl]cyclohexan-1-amine
CID 112796604
3-fluoro-N-[[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]aniline
CID 110652698
N-[[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]-2,4-dimethylaniline
CID 110652635
N-[(8-methoxyquinolin-2-yl)methyl]-2-methylcyclohexan-1-amine
CID 80702031

Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-N-[[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]-2-methylcyclohexan-1-amine?
The IUPAC name of trans-(1R,2R)-N-[[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]-2-methylcyclohexan-1-amine (CID 99716150) is trans-(1R,2R)-N-[[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]-2-methylcyclohexan-1-amine.
What is the SMILES notation for trans-(1R,2R)-N-[[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]-2-methylcyclohexan-1-amine?
The canonical SMILES for trans-(1R,2R)-N-[[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]-2-methylcyclohexan-1-amine is COc1ccccc1-c1nnc(CN[C@@H]2CCCC[C@H]2C)o1.
What is the InChIKey of trans-(1R,2R)-N-[[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]-2-methylcyclohexan-1-amine?
The InChIKey is CRWYEIAFULYWPF-TZMCWYRMSA-N. The full InChI is InChI=1S/C17H23N3O2/c1-12-7-3-5-9-14(12)18-11-16-19-20-17(22-16)13-8-4-6-10-15(13)21-2/h4,6,8,10,12,14,18H,3,5,7,9,11H2,1-2H3/t12-,14-/m1/s1.
What are the key properties of trans-(1R,2R)-N-[[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]-2-methylcyclohexan-1-amine?
trans-(1R,2R)-N-[[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]-2-methylcyclohexan-1-amine has a molecular weight of 301.39 g/mol, XLogP of 3.41, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-N-[[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]-2-methylcyclohexan-1-amine is sourced from PubChem (CID 99716150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).