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

C22H20N4O — CID 59255123

IUPAC3-[3-[[4-(anilinomethyl)phenyl]methyl]-1,2-oxazol-5-yl]pyridin-2-amine
SMILESNc1ncccc1-c1cc(Cc2ccc(CNc3ccccc3)cc2)no1
InChIInChI=1S/C22H20N4O/c23-22-20(7-4-12-24-22)21-14-19(26-27-21)13-16-8-10-17(11-9-16)15-25-18-5-2-1-3-6-18/h1-12,14,25H,13,15H2,(H2,23,24)
InChIKeyXWBOXGGPJROMJK-UHFFFAOYSA-N
MW356.43 g/mol
LogP4.52
Rot. Bonds6

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

3-[3-[[4-(anilinomethyl)phenyl]methyl]-1,2-oxazol-5-yl]pyridin-2-amine (PubChem CID 59255123) has the molecular formula C22H20N4O and a molecular weight of 356.43 g/mol. Its IUPAC name is 3-[3-[[4-(anilinomethyl)phenyl]methyl]-1,2-oxazol-5-yl]pyridin-2-amine.

Molecular Properties

Compound Name3-[3-[[4-(anilinomethyl)phenyl]methyl]-1,2-oxazol-5-yl]pyridin-2-amine
PubChem CID59255123
Molecular FormulaC22H20N4O
Molecular Weight356.43 g/mol
Exact Mass356.16
IUPAC Name3-[3-[[4-(anilinomethyl)phenyl]methyl]-1,2-oxazol-5-yl]pyridin-2-amine
SMILESNc1ncccc1-c1cc(Cc2ccc(CNc3ccccc3)cc2)no1
InChIInChI=1S/C22H20N4O/c23-22-20(7-4-12-24-22)21-14-19(26-27-21)13-16-8-10-17(11-9-16)15-25-18-5-2-1-3-6-18/h1-12,14,25H,13,15H2,(H2,23,24)
InChIKeyXWBOXGGPJROMJK-UHFFFAOYSA-N
XLogP4.52
TPSA76.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.43
LogP ≤ 54.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[3-[[4-(anilinomethyl)phenyl]methyl]-1,2-oxazol-5-yl]pyridin-2-amine?
The IUPAC name of 3-[3-[[4-(anilinomethyl)phenyl]methyl]-1,2-oxazol-5-yl]pyridin-2-amine (CID 59255123) is 3-[3-[[4-(anilinomethyl)phenyl]methyl]-1,2-oxazol-5-yl]pyridin-2-amine.
What is the SMILES notation for 3-[3-[[4-(anilinomethyl)phenyl]methyl]-1,2-oxazol-5-yl]pyridin-2-amine?
The canonical SMILES for 3-[3-[[4-(anilinomethyl)phenyl]methyl]-1,2-oxazol-5-yl]pyridin-2-amine is Nc1ncccc1-c1cc(Cc2ccc(CNc3ccccc3)cc2)no1.
What is the InChIKey of 3-[3-[[4-(anilinomethyl)phenyl]methyl]-1,2-oxazol-5-yl]pyridin-2-amine?
The InChIKey is XWBOXGGPJROMJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4O/c23-22-20(7-4-12-24-22)21-14-19(26-27-21)13-16-8-10-17(11-9-16)15-25-18-5-2-1-3-6-18/h1-12,14,25H,13,15H2,(H2,23,24).
What are the key properties of 3-[3-[[4-(anilinomethyl)phenyl]methyl]-1,2-oxazol-5-yl]pyridin-2-amine?
3-[3-[[4-(anilinomethyl)phenyl]methyl]-1,2-oxazol-5-yl]pyridin-2-amine has a molecular weight of 356.43 g/mol, XLogP of 4.52, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[[4-(anilinomethyl)phenyl]methyl]-1,2-oxazol-5-yl]pyridin-2-amine is sourced from PubChem (CID 59255123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).