5-(2,3-dimethylphenyl)-4-pyridin-2-yl-1,2-oxazol-3-amine

C16H15N3O — CID 80521578

IUPAC5-(2,3-dimethylphenyl)-4-pyridin-2-yl-1,2-oxazol-3-amine
SMILESCc1cccc(-c2onc(N)c2-c2ccccn2)c1C
InChIInChI=1S/C16H15N3O/c1-10-6-5-7-12(11(10)2)15-14(16(17)19-20-15)13-8-3-4-9-18-13/h3-9H,1-2H3,(H2,17,19)
InChIKeyKIOMZCVNZSMXMW-UHFFFAOYSA-N
MW265.32 g/mol
LogP3.60
Rot. Bonds2

About 5-(2,3-dimethylphenyl)-4-pyridin-2-yl-1,2-oxazol-3-amine

5-(2,3-dimethylphenyl)-4-pyridin-2-yl-1,2-oxazol-3-amine (PubChem CID 80521578) has the molecular formula C16H15N3O and a molecular weight of 265.32 g/mol. Its IUPAC name is 5-(2,3-dimethylphenyl)-4-pyridin-2-yl-1,2-oxazol-3-amine.

Molecular Properties

Compound Name5-(2,3-dimethylphenyl)-4-pyridin-2-yl-1,2-oxazol-3-amine
PubChem CID80521578
Molecular FormulaC16H15N3O
Molecular Weight265.32 g/mol
Exact Mass265.12
IUPAC Name5-(2,3-dimethylphenyl)-4-pyridin-2-yl-1,2-oxazol-3-amine
SMILESCc1cccc(-c2onc(N)c2-c2ccccn2)c1C
InChIInChI=1S/C16H15N3O/c1-10-6-5-7-12(11(10)2)15-14(16(17)19-20-15)13-8-3-4-9-18-13/h3-9H,1-2H3,(H2,17,19)
InChIKeyKIOMZCVNZSMXMW-UHFFFAOYSA-N
XLogP3.60
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.32
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(2,3-dimethylphenyl)-4-pyridin-2-yl-1,2-oxazol-3-amine?
The IUPAC name of 5-(2,3-dimethylphenyl)-4-pyridin-2-yl-1,2-oxazol-3-amine (CID 80521578) is 5-(2,3-dimethylphenyl)-4-pyridin-2-yl-1,2-oxazol-3-amine.
What is the SMILES notation for 5-(2,3-dimethylphenyl)-4-pyridin-2-yl-1,2-oxazol-3-amine?
The canonical SMILES for 5-(2,3-dimethylphenyl)-4-pyridin-2-yl-1,2-oxazol-3-amine is Cc1cccc(-c2onc(N)c2-c2ccccn2)c1C.
What is the InChIKey of 5-(2,3-dimethylphenyl)-4-pyridin-2-yl-1,2-oxazol-3-amine?
The InChIKey is KIOMZCVNZSMXMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O/c1-10-6-5-7-12(11(10)2)15-14(16(17)19-20-15)13-8-3-4-9-18-13/h3-9H,1-2H3,(H2,17,19).
What are the key properties of 5-(2,3-dimethylphenyl)-4-pyridin-2-yl-1,2-oxazol-3-amine?
5-(2,3-dimethylphenyl)-4-pyridin-2-yl-1,2-oxazol-3-amine has a molecular weight of 265.32 g/mol, XLogP of 3.60, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,3-dimethylphenyl)-4-pyridin-2-yl-1,2-oxazol-3-amine is sourced from PubChem (CID 80521578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).