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

C10H12N4O — CID 28720202

IUPAC5-(3-aminophenyl)-N,N-dimethyl-1,3,4-oxadiazol-2-amine
SMILESCN(C)c1nnc(-c2cccc(N)c2)o1
InChIInChI=1S/C10H12N4O/c1-14(2)10-13-12-9(15-10)7-4-3-5-8(11)6-7/h3-6H,11H2,1-2H3
InChIKeyNMWCXOVVPDPGNE-UHFFFAOYSA-N
MW204.23 g/mol
LogP1.38
Rot. Bonds2

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

5-(3-aminophenyl)-N,N-dimethyl-1,3,4-oxadiazol-2-amine (PubChem CID 28720202) has the molecular formula C10H12N4O and a molecular weight of 204.23 g/mol. Its IUPAC name is 5-(3-aminophenyl)-N,N-dimethyl-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound Name5-(3-aminophenyl)-N,N-dimethyl-1,3,4-oxadiazol-2-amine
PubChem CID28720202
Molecular FormulaC10H12N4O
Molecular Weight204.23 g/mol
Exact Mass204.10
IUPAC Name5-(3-aminophenyl)-N,N-dimethyl-1,3,4-oxadiazol-2-amine
SMILESCN(C)c1nnc(-c2cccc(N)c2)o1
InChIInChI=1S/C10H12N4O/c1-14(2)10-13-12-9(15-10)7-4-3-5-8(11)6-7/h3-6H,11H2,1-2H3
InChIKeyNMWCXOVVPDPGNE-UHFFFAOYSA-N
XLogP1.38
TPSA68.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.23
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(3-aminophenyl)-N,N-dimethyl-1,3,4-oxadiazol-2-amine?
The IUPAC name of 5-(3-aminophenyl)-N,N-dimethyl-1,3,4-oxadiazol-2-amine (CID 28720202) is 5-(3-aminophenyl)-N,N-dimethyl-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for 5-(3-aminophenyl)-N,N-dimethyl-1,3,4-oxadiazol-2-amine?
The canonical SMILES for 5-(3-aminophenyl)-N,N-dimethyl-1,3,4-oxadiazol-2-amine is CN(C)c1nnc(-c2cccc(N)c2)o1.
What is the InChIKey of 5-(3-aminophenyl)-N,N-dimethyl-1,3,4-oxadiazol-2-amine?
The InChIKey is NMWCXOVVPDPGNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4O/c1-14(2)10-13-12-9(15-10)7-4-3-5-8(11)6-7/h3-6H,11H2,1-2H3.
What are the key properties of 5-(3-aminophenyl)-N,N-dimethyl-1,3,4-oxadiazol-2-amine?
5-(3-aminophenyl)-N,N-dimethyl-1,3,4-oxadiazol-2-amine has a molecular weight of 204.23 g/mol, XLogP of 1.38, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-aminophenyl)-N,N-dimethyl-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 28720202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).