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

C21H17N3O2 — CID 58875060

IUPAC3-[5-[(4-phenoxyphenyl)methyl]-1,2-oxazol-3-yl]pyridin-2-amine
SMILESNc1ncccc1-c1cc(Cc2ccc(Oc3ccccc3)cc2)on1
InChIInChI=1S/C21H17N3O2/c22-21-19(7-4-12-23-21)20-14-18(26-24-20)13-15-8-10-17(11-9-15)25-16-5-2-1-3-6-16/h1-12,14H,13H2,(H2,22,23)
InChIKeyIZDYXCMRLVUUNY-UHFFFAOYSA-N
MW343.39 g/mol
LogP4.70
Rot. Bonds5

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

3-[5-[(4-phenoxyphenyl)methyl]-1,2-oxazol-3-yl]pyridin-2-amine (PubChem CID 58875060) has the molecular formula C21H17N3O2 and a molecular weight of 343.39 g/mol. Its IUPAC name is 3-[5-[(4-phenoxyphenyl)methyl]-1,2-oxazol-3-yl]pyridin-2-amine.

Molecular Properties

Compound Name3-[5-[(4-phenoxyphenyl)methyl]-1,2-oxazol-3-yl]pyridin-2-amine
PubChem CID58875060
Molecular FormulaC21H17N3O2
Molecular Weight343.39 g/mol
Exact Mass343.13
IUPAC Name3-[5-[(4-phenoxyphenyl)methyl]-1,2-oxazol-3-yl]pyridin-2-amine
SMILESNc1ncccc1-c1cc(Cc2ccc(Oc3ccccc3)cc2)on1
InChIInChI=1S/C21H17N3O2/c22-21-19(7-4-12-23-21)20-14-18(26-24-20)13-15-8-10-17(11-9-15)25-16-5-2-1-3-6-16/h1-12,14H,13H2,(H2,22,23)
InChIKeyIZDYXCMRLVUUNY-UHFFFAOYSA-N
XLogP4.70
TPSA74.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.39
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-[5-[(4-phenoxyphenyl)methyl]-1,2-oxazol-3-yl]pyridin-2-amine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[5-[(4-phenoxyphenyl)methyl]-1,2-oxazol-3-yl]pyridin-2-amine?
The IUPAC name of 3-[5-[(4-phenoxyphenyl)methyl]-1,2-oxazol-3-yl]pyridin-2-amine (CID 58875060) is 3-[5-[(4-phenoxyphenyl)methyl]-1,2-oxazol-3-yl]pyridin-2-amine.
What is the SMILES notation for 3-[5-[(4-phenoxyphenyl)methyl]-1,2-oxazol-3-yl]pyridin-2-amine?
The canonical SMILES for 3-[5-[(4-phenoxyphenyl)methyl]-1,2-oxazol-3-yl]pyridin-2-amine is Nc1ncccc1-c1cc(Cc2ccc(Oc3ccccc3)cc2)on1.
What is the InChIKey of 3-[5-[(4-phenoxyphenyl)methyl]-1,2-oxazol-3-yl]pyridin-2-amine?
The InChIKey is IZDYXCMRLVUUNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N3O2/c22-21-19(7-4-12-23-21)20-14-18(26-24-20)13-15-8-10-17(11-9-15)25-16-5-2-1-3-6-16/h1-12,14H,13H2,(H2,22,23).
What are the key properties of 3-[5-[(4-phenoxyphenyl)methyl]-1,2-oxazol-3-yl]pyridin-2-amine?
3-[5-[(4-phenoxyphenyl)methyl]-1,2-oxazol-3-yl]pyridin-2-amine has a molecular weight of 343.39 g/mol, XLogP of 4.70, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-[(4-phenoxyphenyl)methyl]-1,2-oxazol-3-yl]pyridin-2-amine is sourced from PubChem (CID 58875060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).