N-methyl-1-[4-(1,3,4-oxadiazol-2-yl)phenyl]methanamine

C10H11N3O — CID 141270566

IUPACN-methyl-1-[4-(1,3,4-oxadiazol-2-yl)phenyl]methanamine
SMILESCNCc1ccc(-c2nnco2)cc1
InChIInChI=1S/C10H11N3O/c1-11-6-8-2-4-9(5-3-8)10-13-12-7-14-10/h2-5,7,11H,6H2,1H3
InChIKeyGGNFYSMGAIKFHZ-UHFFFAOYSA-N
MW189.22 g/mol
LogP1.46
Rot. Bonds3

About N-methyl-1-[4-(1,3,4-oxadiazol-2-yl)phenyl]methanamine

N-methyl-1-[4-(1,3,4-oxadiazol-2-yl)phenyl]methanamine (PubChem CID 141270566) has the molecular formula C10H11N3O and a molecular weight of 189.22 g/mol. Its IUPAC name is N-methyl-1-[4-(1,3,4-oxadiazol-2-yl)phenyl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[4-(1,3,4-oxadiazol-2-yl)phenyl]methanamine
PubChem CID141270566
Molecular FormulaC10H11N3O
Molecular Weight189.22 g/mol
Exact Mass189.09
IUPAC NameN-methyl-1-[4-(1,3,4-oxadiazol-2-yl)phenyl]methanamine
SMILESCNCc1ccc(-c2nnco2)cc1
InChIInChI=1S/C10H11N3O/c1-11-6-8-2-4-9(5-3-8)10-13-12-7-14-10/h2-5,7,11H,6H2,1H3
InChIKeyGGNFYSMGAIKFHZ-UHFFFAOYSA-N
XLogP1.46
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.22
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[4-(1,3,4-oxadiazol-2-yl)phenyl]methanamine?
The IUPAC name of N-methyl-1-[4-(1,3,4-oxadiazol-2-yl)phenyl]methanamine (CID 141270566) is N-methyl-1-[4-(1,3,4-oxadiazol-2-yl)phenyl]methanamine.
What is the SMILES notation for N-methyl-1-[4-(1,3,4-oxadiazol-2-yl)phenyl]methanamine?
The canonical SMILES for N-methyl-1-[4-(1,3,4-oxadiazol-2-yl)phenyl]methanamine is CNCc1ccc(-c2nnco2)cc1.
What is the InChIKey of N-methyl-1-[4-(1,3,4-oxadiazol-2-yl)phenyl]methanamine?
The InChIKey is GGNFYSMGAIKFHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O/c1-11-6-8-2-4-9(5-3-8)10-13-12-7-14-10/h2-5,7,11H,6H2,1H3.
What are the key properties of N-methyl-1-[4-(1,3,4-oxadiazol-2-yl)phenyl]methanamine?
N-methyl-1-[4-(1,3,4-oxadiazol-2-yl)phenyl]methanamine has a molecular weight of 189.22 g/mol, XLogP of 1.46, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[4-(1,3,4-oxadiazol-2-yl)phenyl]methanamine is sourced from PubChem (CID 141270566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).