N-methyl-2-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)aniline

C14H12N4O — CID 14244613

IUPACN-methyl-2-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)aniline
SMILESCNc1ccccc1-c1nnc(-c2cccnc2)o1
InChIInChI=1S/C14H12N4O/c1-15-12-7-3-2-6-11(12)14-18-17-13(19-14)10-5-4-8-16-9-10/h2-9,15H,1H3
InChIKeyBBFLRDZWHMNRRG-UHFFFAOYSA-N
MW252.28 g/mol
LogP2.84
Rot. Bonds3

About N-methyl-2-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)aniline

N-methyl-2-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)aniline (PubChem CID 14244613) has the molecular formula C14H12N4O and a molecular weight of 252.28 g/mol. Its IUPAC name is N-methyl-2-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)aniline.

Molecular Properties

Compound NameN-methyl-2-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)aniline
PubChem CID14244613
Molecular FormulaC14H12N4O
Molecular Weight252.28 g/mol
Exact Mass252.10
IUPAC NameN-methyl-2-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)aniline
SMILESCNc1ccccc1-c1nnc(-c2cccnc2)o1
InChIInChI=1S/C14H12N4O/c1-15-12-7-3-2-6-11(12)14-18-17-13(19-14)10-5-4-8-16-9-10/h2-9,15H,1H3
InChIKeyBBFLRDZWHMNRRG-UHFFFAOYSA-N
XLogP2.84
TPSA63.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.28
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)aniline?
The IUPAC name of N-methyl-2-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)aniline (CID 14244613) is N-methyl-2-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)aniline.
What is the SMILES notation for N-methyl-2-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)aniline?
The canonical SMILES for N-methyl-2-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)aniline is CNc1ccccc1-c1nnc(-c2cccnc2)o1.
What is the InChIKey of N-methyl-2-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)aniline?
The InChIKey is BBFLRDZWHMNRRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N4O/c1-15-12-7-3-2-6-11(12)14-18-17-13(19-14)10-5-4-8-16-9-10/h2-9,15H,1H3.
What are the key properties of N-methyl-2-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)aniline?
N-methyl-2-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)aniline has a molecular weight of 252.28 g/mol, XLogP of 2.84, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)aniline is sourced from PubChem (CID 14244613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).