2,3-dimethyl-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]aniline

C17H17N3O — CID 4665154

IUPAC2,3-dimethyl-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]aniline
SMILESCc1cccc(NCc2nnc(-c3ccccc3)o2)c1C
InChIInChI=1S/C17H17N3O/c1-12-7-6-10-15(13(12)2)18-11-16-19-20-17(21-16)14-8-4-3-5-9-14/h3-10,18H,11H2,1-2H3
InChIKeyWQUDFRHRBHJOGE-UHFFFAOYSA-N
MW279.34 g/mol
LogP3.97
Rot. Bonds4

About 2,3-dimethyl-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]aniline

2,3-dimethyl-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]aniline (PubChem CID 4665154) has the molecular formula C17H17N3O and a molecular weight of 279.34 g/mol. Its IUPAC name is 2,3-dimethyl-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]aniline.

Molecular Properties

Compound Name2,3-dimethyl-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]aniline
PubChem CID4665154
Molecular FormulaC17H17N3O
Molecular Weight279.34 g/mol
Exact Mass279.14
IUPAC Name2,3-dimethyl-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]aniline
SMILESCc1cccc(NCc2nnc(-c3ccccc3)o2)c1C
InChIInChI=1S/C17H17N3O/c1-12-7-6-10-15(13(12)2)18-11-16-19-20-17(21-16)14-8-4-3-5-9-14/h3-10,18H,11H2,1-2H3
InChIKeyWQUDFRHRBHJOGE-UHFFFAOYSA-N
XLogP3.97
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]aniline?
The IUPAC name of 2,3-dimethyl-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]aniline (CID 4665154) is 2,3-dimethyl-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]aniline.
What is the SMILES notation for 2,3-dimethyl-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]aniline?
The canonical SMILES for 2,3-dimethyl-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]aniline is Cc1cccc(NCc2nnc(-c3ccccc3)o2)c1C.
What is the InChIKey of 2,3-dimethyl-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]aniline?
The InChIKey is WQUDFRHRBHJOGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O/c1-12-7-6-10-15(13(12)2)18-11-16-19-20-17(21-16)14-8-4-3-5-9-14/h3-10,18H,11H2,1-2H3.
What are the key properties of 2,3-dimethyl-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]aniline?
2,3-dimethyl-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]aniline has a molecular weight of 279.34 g/mol, XLogP of 3.97, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]aniline is sourced from PubChem (CID 4665154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).