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

C17H19N3O — CID 62138162

IUPACN-methyl-3-[5-(naphthalen-2-ylmethyl)-1,3,4-oxadiazol-2-yl]propan-1-amine
SMILESCNCCCc1nnc(Cc2ccc3ccccc3c2)o1
InChIInChI=1S/C17H19N3O/c1-18-10-4-7-16-19-20-17(21-16)12-13-8-9-14-5-2-3-6-15(14)11-13/h2-3,5-6,8-9,11,18H,4,7,10,12H2,1H3
InChIKeyDTYNKAKVVRXQIQ-UHFFFAOYSA-N
MW281.36 g/mol
LogP2.97
Rot. Bonds6

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

N-methyl-3-[5-(naphthalen-2-ylmethyl)-1,3,4-oxadiazol-2-yl]propan-1-amine (PubChem CID 62138162) has the molecular formula C17H19N3O and a molecular weight of 281.36 g/mol. Its IUPAC name is N-methyl-3-[5-(naphthalen-2-ylmethyl)-1,3,4-oxadiazol-2-yl]propan-1-amine.

Molecular Properties

Compound NameN-methyl-3-[5-(naphthalen-2-ylmethyl)-1,3,4-oxadiazol-2-yl]propan-1-amine
PubChem CID62138162
Molecular FormulaC17H19N3O
Molecular Weight281.36 g/mol
Exact Mass281.15
IUPAC NameN-methyl-3-[5-(naphthalen-2-ylmethyl)-1,3,4-oxadiazol-2-yl]propan-1-amine
SMILESCNCCCc1nnc(Cc2ccc3ccccc3c2)o1
InChIInChI=1S/C17H19N3O/c1-18-10-4-7-16-19-20-17(21-16)12-13-8-9-14-5-2-3-6-15(14)11-13/h2-3,5-6,8-9,11,18H,4,7,10,12H2,1H3
InChIKeyDTYNKAKVVRXQIQ-UHFFFAOYSA-N
XLogP2.97
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-methyl-3-[5-(naphthalen-2-ylmethyl)-1,3,4-oxadiazol-2-yl]propan-1-amine?
The IUPAC name of N-methyl-3-[5-(naphthalen-2-ylmethyl)-1,3,4-oxadiazol-2-yl]propan-1-amine (CID 62138162) is N-methyl-3-[5-(naphthalen-2-ylmethyl)-1,3,4-oxadiazol-2-yl]propan-1-amine.
What is the SMILES notation for N-methyl-3-[5-(naphthalen-2-ylmethyl)-1,3,4-oxadiazol-2-yl]propan-1-amine?
The canonical SMILES for N-methyl-3-[5-(naphthalen-2-ylmethyl)-1,3,4-oxadiazol-2-yl]propan-1-amine is CNCCCc1nnc(Cc2ccc3ccccc3c2)o1.
What is the InChIKey of N-methyl-3-[5-(naphthalen-2-ylmethyl)-1,3,4-oxadiazol-2-yl]propan-1-amine?
The InChIKey is DTYNKAKVVRXQIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O/c1-18-10-4-7-16-19-20-17(21-16)12-13-8-9-14-5-2-3-6-15(14)11-13/h2-3,5-6,8-9,11,18H,4,7,10,12H2,1H3.
What are the key properties of N-methyl-3-[5-(naphthalen-2-ylmethyl)-1,3,4-oxadiazol-2-yl]propan-1-amine?
N-methyl-3-[5-(naphthalen-2-ylmethyl)-1,3,4-oxadiazol-2-yl]propan-1-amine has a molecular weight of 281.36 g/mol, XLogP of 2.97, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-[5-(naphthalen-2-ylmethyl)-1,3,4-oxadiazol-2-yl]propan-1-amine is sourced from PubChem (CID 62138162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).