N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2-phenylmethoxycyclohexan-1-amine

C17H23N3O2 — CID 86801165

IUPACN-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2-phenylmethoxycyclohexan-1-amine
SMILESCc1nc(CNC2CCCCC2OCc2ccccc2)no1
InChIInChI=1S/C17H23N3O2/c1-13-19-17(20-22-13)11-18-15-9-5-6-10-16(15)21-12-14-7-3-2-4-8-14/h2-4,7-8,15-16,18H,5-6,9-12H2,1H3
InChIKeyRWBYFJMBXHWAMN-UHFFFAOYSA-N
MW301.39 g/mol
LogP3.00
Rot. Bonds6

About N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2-phenylmethoxycyclohexan-1-amine

N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2-phenylmethoxycyclohexan-1-amine (PubChem CID 86801165) has the molecular formula C17H23N3O2 and a molecular weight of 301.39 g/mol. Its IUPAC name is N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2-phenylmethoxycyclohexan-1-amine.

Molecular Properties

Compound NameN-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2-phenylmethoxycyclohexan-1-amine
PubChem CID86801165
Molecular FormulaC17H23N3O2
Molecular Weight301.39 g/mol
Exact Mass301.18
IUPAC NameN-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2-phenylmethoxycyclohexan-1-amine
SMILESCc1nc(CNC2CCCCC2OCc2ccccc2)no1
InChIInChI=1S/C17H23N3O2/c1-13-19-17(20-22-13)11-18-15-9-5-6-10-16(15)21-12-14-7-3-2-4-8-14/h2-4,7-8,15-16,18H,5-6,9-12H2,1H3
InChIKeyRWBYFJMBXHWAMN-UHFFFAOYSA-N
XLogP3.00
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2-phenylmethoxycyclohexan-1-amine?
The IUPAC name of N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2-phenylmethoxycyclohexan-1-amine (CID 86801165) is N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2-phenylmethoxycyclohexan-1-amine.
What is the SMILES notation for N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2-phenylmethoxycyclohexan-1-amine?
The canonical SMILES for N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2-phenylmethoxycyclohexan-1-amine is Cc1nc(CNC2CCCCC2OCc2ccccc2)no1.
What is the InChIKey of N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2-phenylmethoxycyclohexan-1-amine?
The InChIKey is RWBYFJMBXHWAMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O2/c1-13-19-17(20-22-13)11-18-15-9-5-6-10-16(15)21-12-14-7-3-2-4-8-14/h2-4,7-8,15-16,18H,5-6,9-12H2,1H3.
What are the key properties of N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2-phenylmethoxycyclohexan-1-amine?
N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2-phenylmethoxycyclohexan-1-amine has a molecular weight of 301.39 g/mol, XLogP of 3.00, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2-phenylmethoxycyclohexan-1-amine is sourced from PubChem (CID 86801165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).