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

C16H15N3O — CID 3384365

IUPAC3-methyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]aniline
SMILESCc1cccc(NCc2nc(-c3ccccc3)no2)c1
InChIInChI=1S/C16H15N3O/c1-12-6-5-9-14(10-12)17-11-15-18-16(19-20-15)13-7-3-2-4-8-13/h2-10,17H,11H2,1H3
InChIKeyUHTSAKDHQWTLNL-UHFFFAOYSA-N
MW265.32 g/mol
LogP3.66
Rot. Bonds4

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

3-methyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]aniline (PubChem CID 3384365) has the molecular formula C16H15N3O and a molecular weight of 265.32 g/mol. Its IUPAC name is 3-methyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]aniline.

Molecular Properties

Compound Name3-methyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]aniline
PubChem CID3384365
Molecular FormulaC16H15N3O
Molecular Weight265.32 g/mol
Exact Mass265.12
IUPAC Name3-methyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]aniline
SMILESCc1cccc(NCc2nc(-c3ccccc3)no2)c1
InChIInChI=1S/C16H15N3O/c1-12-6-5-9-14(10-12)17-11-15-18-16(19-20-15)13-7-3-2-4-8-13/h2-10,17H,11H2,1H3
InChIKeyUHTSAKDHQWTLNL-UHFFFAOYSA-N
XLogP3.66
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.32
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]aniline?
The IUPAC name of 3-methyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]aniline (CID 3384365) is 3-methyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]aniline.
What is the SMILES notation for 3-methyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]aniline?
The canonical SMILES for 3-methyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]aniline is Cc1cccc(NCc2nc(-c3ccccc3)no2)c1.
What is the InChIKey of 3-methyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]aniline?
The InChIKey is UHTSAKDHQWTLNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O/c1-12-6-5-9-14(10-12)17-11-15-18-16(19-20-15)13-7-3-2-4-8-13/h2-10,17H,11H2,1H3.
What are the key properties of 3-methyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]aniline?
3-methyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]aniline has a molecular weight of 265.32 g/mol, XLogP of 3.66, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]aniline is sourced from PubChem (CID 3384365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).