N,N-dimethyl-5-(2-phenylethyl)-1,3,4-oxadiazol-2-amine

C12H15N3O — CID 134858035

IUPACN,N-dimethyl-5-(2-phenylethyl)-1,3,4-oxadiazol-2-amine
SMILESCN(C)c1nnc(CCc2ccccc2)o1
InChIInChI=1S/C12H15N3O/c1-15(2)12-14-13-11(16-12)9-8-10-6-4-3-5-7-10/h3-7H,8-9H2,1-2H3
InChIKeyUWPVKGLINWHXIX-UHFFFAOYSA-N
MW217.27 g/mol
LogP1.92
Rot. Bonds4

About N,N-dimethyl-5-(2-phenylethyl)-1,3,4-oxadiazol-2-amine

N,N-dimethyl-5-(2-phenylethyl)-1,3,4-oxadiazol-2-amine (PubChem CID 134858035) has the molecular formula C12H15N3O and a molecular weight of 217.27 g/mol. Its IUPAC name is N,N-dimethyl-5-(2-phenylethyl)-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound NameN,N-dimethyl-5-(2-phenylethyl)-1,3,4-oxadiazol-2-amine
PubChem CID134858035
Molecular FormulaC12H15N3O
Molecular Weight217.27 g/mol
Exact Mass217.12
IUPAC NameN,N-dimethyl-5-(2-phenylethyl)-1,3,4-oxadiazol-2-amine
SMILESCN(C)c1nnc(CCc2ccccc2)o1
InChIInChI=1S/C12H15N3O/c1-15(2)12-14-13-11(16-12)9-8-10-6-4-3-5-7-10/h3-7H,8-9H2,1-2H3
InChIKeyUWPVKGLINWHXIX-UHFFFAOYSA-N
XLogP1.92
TPSA42.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-5-(2-phenylethyl)-1,3,4-oxadiazol-2-amine?
The IUPAC name of N,N-dimethyl-5-(2-phenylethyl)-1,3,4-oxadiazol-2-amine (CID 134858035) is N,N-dimethyl-5-(2-phenylethyl)-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for N,N-dimethyl-5-(2-phenylethyl)-1,3,4-oxadiazol-2-amine?
The canonical SMILES for N,N-dimethyl-5-(2-phenylethyl)-1,3,4-oxadiazol-2-amine is CN(C)c1nnc(CCc2ccccc2)o1.
What is the InChIKey of N,N-dimethyl-5-(2-phenylethyl)-1,3,4-oxadiazol-2-amine?
The InChIKey is UWPVKGLINWHXIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O/c1-15(2)12-14-13-11(16-12)9-8-10-6-4-3-5-7-10/h3-7H,8-9H2,1-2H3.
What are the key properties of N,N-dimethyl-5-(2-phenylethyl)-1,3,4-oxadiazol-2-amine?
N,N-dimethyl-5-(2-phenylethyl)-1,3,4-oxadiazol-2-amine has a molecular weight of 217.27 g/mol, XLogP of 1.92, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-5-(2-phenylethyl)-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 134858035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).