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

C23H21N3O — CID 58076253

IUPAC3-[3-[[4-(2-phenylethyl)phenyl]methyl]-1,2-oxazol-5-yl]pyridin-2-amine
SMILESNc1ncccc1-c1cc(Cc2ccc(CCc3ccccc3)cc2)no1
InChIInChI=1S/C23H21N3O/c24-23-21(7-4-14-25-23)22-16-20(26-27-22)15-19-12-10-18(11-13-19)9-8-17-5-2-1-3-6-17/h1-7,10-14,16H,8-9,15H2,(H2,24,25)
InChIKeyUIFHFNMJLXWFRB-UHFFFAOYSA-N
MW355.44 g/mol
LogP4.69
Rot. Bonds6

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

3-[3-[[4-(2-phenylethyl)phenyl]methyl]-1,2-oxazol-5-yl]pyridin-2-amine (PubChem CID 58076253) has the molecular formula C23H21N3O and a molecular weight of 355.44 g/mol. Its IUPAC name is 3-[3-[[4-(2-phenylethyl)phenyl]methyl]-1,2-oxazol-5-yl]pyridin-2-amine.

Molecular Properties

Compound Name3-[3-[[4-(2-phenylethyl)phenyl]methyl]-1,2-oxazol-5-yl]pyridin-2-amine
PubChem CID58076253
Molecular FormulaC23H21N3O
Molecular Weight355.44 g/mol
Exact Mass355.17
IUPAC Name3-[3-[[4-(2-phenylethyl)phenyl]methyl]-1,2-oxazol-5-yl]pyridin-2-amine
SMILESNc1ncccc1-c1cc(Cc2ccc(CCc3ccccc3)cc2)no1
InChIInChI=1S/C23H21N3O/c24-23-21(7-4-14-25-23)22-16-20(26-27-22)15-19-12-10-18(11-13-19)9-8-17-5-2-1-3-6-17/h1-7,10-14,16H,8-9,15H2,(H2,24,25)
InChIKeyUIFHFNMJLXWFRB-UHFFFAOYSA-N
XLogP4.69
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[3-[[4-(2-phenylethyl)phenyl]methyl]-1,2-oxazol-5-yl]pyridin-2-amine?
The IUPAC name of 3-[3-[[4-(2-phenylethyl)phenyl]methyl]-1,2-oxazol-5-yl]pyridin-2-amine (CID 58076253) is 3-[3-[[4-(2-phenylethyl)phenyl]methyl]-1,2-oxazol-5-yl]pyridin-2-amine.
What is the SMILES notation for 3-[3-[[4-(2-phenylethyl)phenyl]methyl]-1,2-oxazol-5-yl]pyridin-2-amine?
The canonical SMILES for 3-[3-[[4-(2-phenylethyl)phenyl]methyl]-1,2-oxazol-5-yl]pyridin-2-amine is Nc1ncccc1-c1cc(Cc2ccc(CCc3ccccc3)cc2)no1.
What is the InChIKey of 3-[3-[[4-(2-phenylethyl)phenyl]methyl]-1,2-oxazol-5-yl]pyridin-2-amine?
The InChIKey is UIFHFNMJLXWFRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3O/c24-23-21(7-4-14-25-23)22-16-20(26-27-22)15-19-12-10-18(11-13-19)9-8-17-5-2-1-3-6-17/h1-7,10-14,16H,8-9,15H2,(H2,24,25).
What are the key properties of 3-[3-[[4-(2-phenylethyl)phenyl]methyl]-1,2-oxazol-5-yl]pyridin-2-amine?
3-[3-[[4-(2-phenylethyl)phenyl]methyl]-1,2-oxazol-5-yl]pyridin-2-amine has a molecular weight of 355.44 g/mol, XLogP of 4.69, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[[4-(2-phenylethyl)phenyl]methyl]-1,2-oxazol-5-yl]pyridin-2-amine is sourced from PubChem (CID 58076253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).