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

C18H15N3OS — CID 78789202

IUPACN-methyl-N-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]naphthalen-2-amine
SMILESCN(Cc1nnc(-c2cccs2)o1)c1ccc2ccccc2c1
InChIInChI=1S/C18H15N3OS/c1-21(15-9-8-13-5-2-3-6-14(13)11-15)12-17-19-20-18(22-17)16-7-4-10-23-16/h2-11H,12H2,1H3
InChIKeyKPWHSQSKYNZEGG-UHFFFAOYSA-N
MW321.41 g/mol
LogP4.59
Rot. Bonds4

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

N-methyl-N-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]naphthalen-2-amine (PubChem CID 78789202) has the molecular formula C18H15N3OS and a molecular weight of 321.41 g/mol. Its IUPAC name is N-methyl-N-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]naphthalen-2-amine.

Molecular Properties

Compound NameN-methyl-N-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]naphthalen-2-amine
PubChem CID78789202
Molecular FormulaC18H15N3OS
Molecular Weight321.41 g/mol
Exact Mass321.09
IUPAC NameN-methyl-N-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]naphthalen-2-amine
SMILESCN(Cc1nnc(-c2cccs2)o1)c1ccc2ccccc2c1
InChIInChI=1S/C18H15N3OS/c1-21(15-9-8-13-5-2-3-6-14(13)11-15)12-17-19-20-18(22-17)16-7-4-10-23-16/h2-11H,12H2,1H3
InChIKeyKPWHSQSKYNZEGG-UHFFFAOYSA-N
XLogP4.59
TPSA42.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.41
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]naphthalen-2-amine?
The IUPAC name of N-methyl-N-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]naphthalen-2-amine (CID 78789202) is N-methyl-N-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]naphthalen-2-amine.
What is the SMILES notation for N-methyl-N-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]naphthalen-2-amine?
The canonical SMILES for N-methyl-N-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]naphthalen-2-amine is CN(Cc1nnc(-c2cccs2)o1)c1ccc2ccccc2c1.
What is the InChIKey of N-methyl-N-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]naphthalen-2-amine?
The InChIKey is KPWHSQSKYNZEGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3OS/c1-21(15-9-8-13-5-2-3-6-14(13)11-15)12-17-19-20-18(22-17)16-7-4-10-23-16/h2-11H,12H2,1H3.
What are the key properties of N-methyl-N-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]naphthalen-2-amine?
N-methyl-N-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]naphthalen-2-amine has a molecular weight of 321.41 g/mol, XLogP of 4.59, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]naphthalen-2-amine is sourced from PubChem (CID 78789202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).