N,N-dimethyl-1-[2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methoxy]naphthalen-1-yl]methanamine

C20H19N3O2S — CID 4827439

IUPACN,N-dimethyl-1-[2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methoxy]naphthalen-1-yl]methanamine
SMILESCN(C)Cc1c(OCc2nnc(-c3cccs3)o2)ccc2ccccc12
InChIInChI=1S/C20H19N3O2S/c1-23(2)12-16-15-7-4-3-6-14(15)9-10-17(16)24-13-19-21-22-20(25-19)18-8-5-11-26-18/h3-11H,12-13H2,1-2H3
InChIKeyBGNSPNWCLMIZQR-UHFFFAOYSA-N
MW365.46 g/mol
LogP4.59
Rot. Bonds6

About N,N-dimethyl-1-[2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methoxy]naphthalen-1-yl]methanamine

N,N-dimethyl-1-[2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methoxy]naphthalen-1-yl]methanamine (PubChem CID 4827439) has the molecular formula C20H19N3O2S and a molecular weight of 365.46 g/mol. Its IUPAC name is N,N-dimethyl-1-[2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methoxy]naphthalen-1-yl]methanamine.

Molecular Properties

Compound NameN,N-dimethyl-1-[2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methoxy]naphthalen-1-yl]methanamine
PubChem CID4827439
Molecular FormulaC20H19N3O2S
Molecular Weight365.46 g/mol
Exact Mass365.12
IUPAC NameN,N-dimethyl-1-[2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methoxy]naphthalen-1-yl]methanamine
SMILESCN(C)Cc1c(OCc2nnc(-c3cccs3)o2)ccc2ccccc12
InChIInChI=1S/C20H19N3O2S/c1-23(2)12-16-15-7-4-3-6-14(15)9-10-17(16)24-13-19-21-22-20(25-19)18-8-5-11-26-18/h3-11H,12-13H2,1-2H3
InChIKeyBGNSPNWCLMIZQR-UHFFFAOYSA-N
XLogP4.59
TPSA51.39 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.46
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-[2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methoxy]naphthalen-1-yl]methanamine?
The IUPAC name of N,N-dimethyl-1-[2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methoxy]naphthalen-1-yl]methanamine (CID 4827439) is N,N-dimethyl-1-[2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methoxy]naphthalen-1-yl]methanamine.
What is the SMILES notation for N,N-dimethyl-1-[2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methoxy]naphthalen-1-yl]methanamine?
The canonical SMILES for N,N-dimethyl-1-[2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methoxy]naphthalen-1-yl]methanamine is CN(C)Cc1c(OCc2nnc(-c3cccs3)o2)ccc2ccccc12.
What is the InChIKey of N,N-dimethyl-1-[2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methoxy]naphthalen-1-yl]methanamine?
The InChIKey is BGNSPNWCLMIZQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O2S/c1-23(2)12-16-15-7-4-3-6-14(15)9-10-17(16)24-13-19-21-22-20(25-19)18-8-5-11-26-18/h3-11H,12-13H2,1-2H3.
What are the key properties of N,N-dimethyl-1-[2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methoxy]naphthalen-1-yl]methanamine?
N,N-dimethyl-1-[2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methoxy]naphthalen-1-yl]methanamine has a molecular weight of 365.46 g/mol, XLogP of 4.59, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-[2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methoxy]naphthalen-1-yl]methanamine is sourced from PubChem (CID 4827439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).