6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-1,2-benzoxazol-3-amine

C19H14FN3O — CID 90095042

IUPAC6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-1,2-benzoxazol-3-amine
SMILESCc1cc(-c2ncccc2-c2ccc3c(N)noc3c2)ccc1F
InChIInChI=1S/C19H14FN3O/c1-11-9-13(5-7-16(11)20)18-14(3-2-8-22-18)12-4-6-15-17(10-12)24-23-19(15)21/h2-10H,1H3,(H2,21,23)
InChIKeyZVMSMPKJCDWBJJ-UHFFFAOYSA-N
MW319.34 g/mol
LogP4.59
Rot. Bonds2

About 6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-1,2-benzoxazol-3-amine

6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-1,2-benzoxazol-3-amine (PubChem CID 90095042) has the molecular formula C19H14FN3O and a molecular weight of 319.34 g/mol. Its IUPAC name is 6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-1,2-benzoxazol-3-amine.

Molecular Properties

Compound Name6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-1,2-benzoxazol-3-amine
PubChem CID90095042
Molecular FormulaC19H14FN3O
Molecular Weight319.34 g/mol
Exact Mass319.11
IUPAC Name6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-1,2-benzoxazol-3-amine
SMILESCc1cc(-c2ncccc2-c2ccc3c(N)noc3c2)ccc1F
InChIInChI=1S/C19H14FN3O/c1-11-9-13(5-7-16(11)20)18-14(3-2-8-22-18)12-4-6-15-17(10-12)24-23-19(15)21/h2-10H,1H3,(H2,21,23)
InChIKeyZVMSMPKJCDWBJJ-UHFFFAOYSA-N
XLogP4.59
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.34
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-1,2-benzoxazol-3-amine?
The IUPAC name of 6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-1,2-benzoxazol-3-amine (CID 90095042) is 6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-1,2-benzoxazol-3-amine.
What is the SMILES notation for 6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-1,2-benzoxazol-3-amine?
The canonical SMILES for 6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-1,2-benzoxazol-3-amine is Cc1cc(-c2ncccc2-c2ccc3c(N)noc3c2)ccc1F.
What is the InChIKey of 6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-1,2-benzoxazol-3-amine?
The InChIKey is ZVMSMPKJCDWBJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14FN3O/c1-11-9-13(5-7-16(11)20)18-14(3-2-8-22-18)12-4-6-15-17(10-12)24-23-19(15)21/h2-10H,1H3,(H2,21,23).
What are the key properties of 6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-1,2-benzoxazol-3-amine?
6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-1,2-benzoxazol-3-amine has a molecular weight of 319.34 g/mol, XLogP of 4.59, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-1,2-benzoxazol-3-amine is sourced from PubChem (CID 90095042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).