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

C22H19N3O — CID 58076251

IUPAC3-[3-[(4-benzylphenyl)methyl]-1,2-oxazol-5-yl]pyridin-2-amine
SMILESNc1ncccc1-c1cc(Cc2ccc(Cc3ccccc3)cc2)no1
InChIInChI=1S/C22H19N3O/c23-22-20(7-4-12-24-22)21-15-19(25-26-21)14-18-10-8-17(9-11-18)13-16-5-2-1-3-6-16/h1-12,15H,13-14H2,(H2,23,24)
InChIKeyCVOXZDFUFLBWDQ-UHFFFAOYSA-N
MW341.41 g/mol
LogP4.50
Rot. Bonds5

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

3-[3-[(4-benzylphenyl)methyl]-1,2-oxazol-5-yl]pyridin-2-amine (PubChem CID 58076251) has the molecular formula C22H19N3O and a molecular weight of 341.41 g/mol. Its IUPAC name is 3-[3-[(4-benzylphenyl)methyl]-1,2-oxazol-5-yl]pyridin-2-amine.

Molecular Properties

Compound Name3-[3-[(4-benzylphenyl)methyl]-1,2-oxazol-5-yl]pyridin-2-amine
PubChem CID58076251
Molecular FormulaC22H19N3O
Molecular Weight341.41 g/mol
Exact Mass341.15
IUPAC Name3-[3-[(4-benzylphenyl)methyl]-1,2-oxazol-5-yl]pyridin-2-amine
SMILESNc1ncccc1-c1cc(Cc2ccc(Cc3ccccc3)cc2)no1
InChIInChI=1S/C22H19N3O/c23-22-20(7-4-12-24-22)21-15-19(25-26-21)14-18-10-8-17(9-11-18)13-16-5-2-1-3-6-16/h1-12,15H,13-14H2,(H2,23,24)
InChIKeyCVOXZDFUFLBWDQ-UHFFFAOYSA-N
XLogP4.50
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[3-[(4-benzylphenyl)methyl]-1,2-oxazol-5-yl]pyridin-2-amine?
The IUPAC name of 3-[3-[(4-benzylphenyl)methyl]-1,2-oxazol-5-yl]pyridin-2-amine (CID 58076251) is 3-[3-[(4-benzylphenyl)methyl]-1,2-oxazol-5-yl]pyridin-2-amine.
What is the SMILES notation for 3-[3-[(4-benzylphenyl)methyl]-1,2-oxazol-5-yl]pyridin-2-amine?
The canonical SMILES for 3-[3-[(4-benzylphenyl)methyl]-1,2-oxazol-5-yl]pyridin-2-amine is Nc1ncccc1-c1cc(Cc2ccc(Cc3ccccc3)cc2)no1.
What is the InChIKey of 3-[3-[(4-benzylphenyl)methyl]-1,2-oxazol-5-yl]pyridin-2-amine?
The InChIKey is CVOXZDFUFLBWDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3O/c23-22-20(7-4-12-24-22)21-15-19(25-26-21)14-18-10-8-17(9-11-18)13-16-5-2-1-3-6-16/h1-12,15H,13-14H2,(H2,23,24).
What are the key properties of 3-[3-[(4-benzylphenyl)methyl]-1,2-oxazol-5-yl]pyridin-2-amine?
3-[3-[(4-benzylphenyl)methyl]-1,2-oxazol-5-yl]pyridin-2-amine has a molecular weight of 341.41 g/mol, XLogP of 4.50, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[(4-benzylphenyl)methyl]-1,2-oxazol-5-yl]pyridin-2-amine is sourced from PubChem (CID 58076251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).