5-[1-(methylamino)ethyl]-N-(1,2,3,4-tetrahydronaphthalen-2-yl)-1,3,4-oxadiazol-2-amine

C15H20N4O — CID 106960318

IUPAC5-[1-(methylamino)ethyl]-N-(1,2,3,4-tetrahydronaphthalen-2-yl)-1,3,4-oxadiazol-2-amine
SMILESCNC(C)c1nnc(NC2CCc3ccccc3C2)o1
InChIInChI=1S/C15H20N4O/c1-10(16-2)14-18-19-15(20-14)17-13-8-7-11-5-3-4-6-12(11)9-13/h3-6,10,13,16H,7-9H2,1-2H3,(H,17,19)
InChIKeyNBTBGVFWMMKNFP-UHFFFAOYSA-N
MW272.35 g/mol
LogP2.32
Rot. Bonds4

About 5-[1-(methylamino)ethyl]-N-(1,2,3,4-tetrahydronaphthalen-2-yl)-1,3,4-oxadiazol-2-amine

5-[1-(methylamino)ethyl]-N-(1,2,3,4-tetrahydronaphthalen-2-yl)-1,3,4-oxadiazol-2-amine (PubChem CID 106960318) has the molecular formula C15H20N4O and a molecular weight of 272.35 g/mol. Its IUPAC name is 5-[1-(methylamino)ethyl]-N-(1,2,3,4-tetrahydronaphthalen-2-yl)-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound Name5-[1-(methylamino)ethyl]-N-(1,2,3,4-tetrahydronaphthalen-2-yl)-1,3,4-oxadiazol-2-amine
PubChem CID106960318
Molecular FormulaC15H20N4O
Molecular Weight272.35 g/mol
Exact Mass272.16
IUPAC Name5-[1-(methylamino)ethyl]-N-(1,2,3,4-tetrahydronaphthalen-2-yl)-1,3,4-oxadiazol-2-amine
SMILESCNC(C)c1nnc(NC2CCc3ccccc3C2)o1
InChIInChI=1S/C15H20N4O/c1-10(16-2)14-18-19-15(20-14)17-13-8-7-11-5-3-4-6-12(11)9-13/h3-6,10,13,16H,7-9H2,1-2H3,(H,17,19)
InChIKeyNBTBGVFWMMKNFP-UHFFFAOYSA-N
XLogP2.32
TPSA62.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[1-(methylamino)ethyl]-N-(1,2,3,4-tetrahydronaphthalen-2-yl)-1,3,4-oxadiazol-2-amine?
The IUPAC name of 5-[1-(methylamino)ethyl]-N-(1,2,3,4-tetrahydronaphthalen-2-yl)-1,3,4-oxadiazol-2-amine (CID 106960318) is 5-[1-(methylamino)ethyl]-N-(1,2,3,4-tetrahydronaphthalen-2-yl)-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for 5-[1-(methylamino)ethyl]-N-(1,2,3,4-tetrahydronaphthalen-2-yl)-1,3,4-oxadiazol-2-amine?
The canonical SMILES for 5-[1-(methylamino)ethyl]-N-(1,2,3,4-tetrahydronaphthalen-2-yl)-1,3,4-oxadiazol-2-amine is CNC(C)c1nnc(NC2CCc3ccccc3C2)o1.
What is the InChIKey of 5-[1-(methylamino)ethyl]-N-(1,2,3,4-tetrahydronaphthalen-2-yl)-1,3,4-oxadiazol-2-amine?
The InChIKey is NBTBGVFWMMKNFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O/c1-10(16-2)14-18-19-15(20-14)17-13-8-7-11-5-3-4-6-12(11)9-13/h3-6,10,13,16H,7-9H2,1-2H3,(H,17,19).
What are the key properties of 5-[1-(methylamino)ethyl]-N-(1,2,3,4-tetrahydronaphthalen-2-yl)-1,3,4-oxadiazol-2-amine?
5-[1-(methylamino)ethyl]-N-(1,2,3,4-tetrahydronaphthalen-2-yl)-1,3,4-oxadiazol-2-amine has a molecular weight of 272.35 g/mol, XLogP of 2.32, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(methylamino)ethyl]-N-(1,2,3,4-tetrahydronaphthalen-2-yl)-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 106960318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).