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

C14H12N4O — CID 5122987

IUPACN-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]pyridin-4-amine
SMILESc1ccc(-c2nnc(CNc3ccncc3)o2)cc1
InChIInChI=1S/C14H12N4O/c1-2-4-11(5-3-1)14-18-17-13(19-14)10-16-12-6-8-15-9-7-12/h1-9H,10H2,(H,15,16)
InChIKeyZSXCNARXYGWRIU-UHFFFAOYSA-N
MW252.28 g/mol
LogP2.74
Rot. Bonds4

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

N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]pyridin-4-amine (PubChem CID 5122987) has the molecular formula C14H12N4O and a molecular weight of 252.28 g/mol. Its IUPAC name is N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]pyridin-4-amine.

Molecular Properties

Compound NameN-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]pyridin-4-amine
PubChem CID5122987
Molecular FormulaC14H12N4O
Molecular Weight252.28 g/mol
Exact Mass252.10
IUPAC NameN-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]pyridin-4-amine
SMILESc1ccc(-c2nnc(CNc3ccncc3)o2)cc1
InChIInChI=1S/C14H12N4O/c1-2-4-11(5-3-1)14-18-17-13(19-14)10-16-12-6-8-15-9-7-12/h1-9H,10H2,(H,15,16)
InChIKeyZSXCNARXYGWRIU-UHFFFAOYSA-N
XLogP2.74
TPSA63.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.28
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]pyridin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-4-(trifluoromethyl)aniline
CID 78795471
4-[(5-phenyl-1,3,4-oxadiazol-2-yl)methylamino]benzamide
CID 78793084
3,4-dimethoxy-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]aniline
CID 18870590
4-chloro-N-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]aniline
CID 14567182
2-bromo-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]aniline
CID 60683451
N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-2,3-dihydro-1,4-benzodioxin-6-amine
CID 110410091
4-chloro-3-fluoro-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]aniline
CID 62132332
methyl N-[3-[(5-phenyl-1,3,4-oxadiazol-2-yl)methylamino]phenyl]carbamate
CID 71918805
N-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]-4-phenoxyaniline
CID 110653037
2,2-difluoro-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]ethanamine
CID 115406813
3-methyl-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]pentan-3-amine
CID 103746773
4-methyl-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]pyridin-2-amine
CID 18870599

Frequently Asked Questions

What is the IUPAC name of N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]pyridin-4-amine?
The IUPAC name of N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]pyridin-4-amine (CID 5122987) is N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]pyridin-4-amine.
What is the SMILES notation for N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]pyridin-4-amine?
The canonical SMILES for N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]pyridin-4-amine is c1ccc(-c2nnc(CNc3ccncc3)o2)cc1.
What is the InChIKey of N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]pyridin-4-amine?
The InChIKey is ZSXCNARXYGWRIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N4O/c1-2-4-11(5-3-1)14-18-17-13(19-14)10-16-12-6-8-15-9-7-12/h1-9H,10H2,(H,15,16).
What are the key properties of N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]pyridin-4-amine?
N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]pyridin-4-amine has a molecular weight of 252.28 g/mol, XLogP of 2.74, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]pyridin-4-amine is sourced from PubChem (CID 5122987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).