N,N-dimethyl-1-(5-phenyl-1,3,4-oxadiazol-2-yl)methanamine

C11H13N3O — CID 27186863

IUPACN,N-dimethyl-1-(5-phenyl-1,3,4-oxadiazol-2-yl)methanamine
SMILESCN(C)Cc1nnc(-c2ccccc2)o1
InChIInChI=1S/C11H13N3O/c1-14(2)8-10-12-13-11(15-10)9-6-4-3-5-7-9/h3-7H,8H2,1-2H3
InChIKeyDNPIBZGZYAPTLF-UHFFFAOYSA-N
MW203.25 g/mol
LogP1.80
Rot. Bonds3

About N,N-dimethyl-1-(5-phenyl-1,3,4-oxadiazol-2-yl)methanamine

N,N-dimethyl-1-(5-phenyl-1,3,4-oxadiazol-2-yl)methanamine (PubChem CID 27186863) has the molecular formula C11H13N3O and a molecular weight of 203.25 g/mol. Its IUPAC name is N,N-dimethyl-1-(5-phenyl-1,3,4-oxadiazol-2-yl)methanamine.

Molecular Properties

Compound NameN,N-dimethyl-1-(5-phenyl-1,3,4-oxadiazol-2-yl)methanamine
PubChem CID27186863
Molecular FormulaC11H13N3O
Molecular Weight203.25 g/mol
Exact Mass203.11
IUPAC NameN,N-dimethyl-1-(5-phenyl-1,3,4-oxadiazol-2-yl)methanamine
SMILESCN(C)Cc1nnc(-c2ccccc2)o1
InChIInChI=1S/C11H13N3O/c1-14(2)8-10-12-13-11(15-10)9-6-4-3-5-7-9/h3-7H,8H2,1-2H3
InChIKeyDNPIBZGZYAPTLF-UHFFFAOYSA-N
XLogP1.80
TPSA42.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.25
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-(5-phenyl-1,3,4-oxadiazol-2-yl)methanamine?
The IUPAC name of N,N-dimethyl-1-(5-phenyl-1,3,4-oxadiazol-2-yl)methanamine (CID 27186863) is N,N-dimethyl-1-(5-phenyl-1,3,4-oxadiazol-2-yl)methanamine.
What is the SMILES notation for N,N-dimethyl-1-(5-phenyl-1,3,4-oxadiazol-2-yl)methanamine?
The canonical SMILES for N,N-dimethyl-1-(5-phenyl-1,3,4-oxadiazol-2-yl)methanamine is CN(C)Cc1nnc(-c2ccccc2)o1.
What is the InChIKey of N,N-dimethyl-1-(5-phenyl-1,3,4-oxadiazol-2-yl)methanamine?
The InChIKey is DNPIBZGZYAPTLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O/c1-14(2)8-10-12-13-11(15-10)9-6-4-3-5-7-9/h3-7H,8H2,1-2H3.
What are the key properties of N,N-dimethyl-1-(5-phenyl-1,3,4-oxadiazol-2-yl)methanamine?
N,N-dimethyl-1-(5-phenyl-1,3,4-oxadiazol-2-yl)methanamine has a molecular weight of 203.25 g/mol, XLogP of 1.80, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-(5-phenyl-1,3,4-oxadiazol-2-yl)methanamine is sourced from PubChem (CID 27186863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).