N,N-dimethyl-4-(oxadiazol-4-yl)aniline

C10H11N3O — CID 172692662

IUPACN,N-dimethyl-4-(oxadiazol-4-yl)aniline
SMILESCN(C)c1ccc(-c2conn2)cc1
InChIInChI=1S/C10H11N3O/c1-13(2)9-5-3-8(4-6-9)10-7-14-12-11-10/h3-7H,1-2H3
InChIKeyBWWLHVDUXBQEFV-UHFFFAOYSA-N
MW189.22 g/mol
LogP1.80
Rot. Bonds2

About N,N-dimethyl-4-(oxadiazol-4-yl)aniline

N,N-dimethyl-4-(oxadiazol-4-yl)aniline (PubChem CID 172692662) has the molecular formula C10H11N3O and a molecular weight of 189.22 g/mol. Its IUPAC name is N,N-dimethyl-4-(oxadiazol-4-yl)aniline.

Molecular Properties

Compound NameN,N-dimethyl-4-(oxadiazol-4-yl)aniline
PubChem CID172692662
Molecular FormulaC10H11N3O
Molecular Weight189.22 g/mol
Exact Mass189.09
IUPAC NameN,N-dimethyl-4-(oxadiazol-4-yl)aniline
SMILESCN(C)c1ccc(-c2conn2)cc1
InChIInChI=1S/C10H11N3O/c1-13(2)9-5-3-8(4-6-9)10-7-14-12-11-10/h3-7H,1-2H3
InChIKeyBWWLHVDUXBQEFV-UHFFFAOYSA-N
XLogP1.80
TPSA42.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.22
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-4-(oxadiazol-4-yl)aniline?
The IUPAC name of N,N-dimethyl-4-(oxadiazol-4-yl)aniline (CID 172692662) is N,N-dimethyl-4-(oxadiazol-4-yl)aniline.
What is the SMILES notation for N,N-dimethyl-4-(oxadiazol-4-yl)aniline?
The canonical SMILES for N,N-dimethyl-4-(oxadiazol-4-yl)aniline is CN(C)c1ccc(-c2conn2)cc1.
What is the InChIKey of N,N-dimethyl-4-(oxadiazol-4-yl)aniline?
The InChIKey is BWWLHVDUXBQEFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O/c1-13(2)9-5-3-8(4-6-9)10-7-14-12-11-10/h3-7H,1-2H3.
What are the key properties of N,N-dimethyl-4-(oxadiazol-4-yl)aniline?
N,N-dimethyl-4-(oxadiazol-4-yl)aniline has a molecular weight of 189.22 g/mol, XLogP of 1.80, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-(oxadiazol-4-yl)aniline is sourced from PubChem (CID 172692662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).