4-(2-fluorophenyl)-5-(3-methylphenyl)-1,2-oxazol-3-amine

C16H13FN2O — CID 66199355

IUPAC4-(2-fluorophenyl)-5-(3-methylphenyl)-1,2-oxazol-3-amine
SMILESCc1cccc(-c2onc(N)c2-c2ccccc2F)c1
InChIInChI=1S/C16H13FN2O/c1-10-5-4-6-11(9-10)15-14(16(18)19-20-15)12-7-2-3-8-13(12)17/h2-9H,1H3,(H2,18,19)
InChIKeyAMJSSQKDAAPPML-UHFFFAOYSA-N
MW268.29 g/mol
LogP4.04
Rot. Bonds2

About 4-(2-fluorophenyl)-5-(3-methylphenyl)-1,2-oxazol-3-amine

4-(2-fluorophenyl)-5-(3-methylphenyl)-1,2-oxazol-3-amine (PubChem CID 66199355) has the molecular formula C16H13FN2O and a molecular weight of 268.29 g/mol. Its IUPAC name is 4-(2-fluorophenyl)-5-(3-methylphenyl)-1,2-oxazol-3-amine.

Molecular Properties

Compound Name4-(2-fluorophenyl)-5-(3-methylphenyl)-1,2-oxazol-3-amine
PubChem CID66199355
Molecular FormulaC16H13FN2O
Molecular Weight268.29 g/mol
Exact Mass268.10
IUPAC Name4-(2-fluorophenyl)-5-(3-methylphenyl)-1,2-oxazol-3-amine
SMILESCc1cccc(-c2onc(N)c2-c2ccccc2F)c1
InChIInChI=1S/C16H13FN2O/c1-10-5-4-6-11(9-10)15-14(16(18)19-20-15)12-7-2-3-8-13(12)17/h2-9H,1H3,(H2,18,19)
InChIKeyAMJSSQKDAAPPML-UHFFFAOYSA-N
XLogP4.04
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.29
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(2-fluorophenyl)-5-(3-methylphenyl)-1,2-oxazol-3-amine?
The IUPAC name of 4-(2-fluorophenyl)-5-(3-methylphenyl)-1,2-oxazol-3-amine (CID 66199355) is 4-(2-fluorophenyl)-5-(3-methylphenyl)-1,2-oxazol-3-amine.
What is the SMILES notation for 4-(2-fluorophenyl)-5-(3-methylphenyl)-1,2-oxazol-3-amine?
The canonical SMILES for 4-(2-fluorophenyl)-5-(3-methylphenyl)-1,2-oxazol-3-amine is Cc1cccc(-c2onc(N)c2-c2ccccc2F)c1.
What is the InChIKey of 4-(2-fluorophenyl)-5-(3-methylphenyl)-1,2-oxazol-3-amine?
The InChIKey is AMJSSQKDAAPPML-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13FN2O/c1-10-5-4-6-11(9-10)15-14(16(18)19-20-15)12-7-2-3-8-13(12)17/h2-9H,1H3,(H2,18,19).
What are the key properties of 4-(2-fluorophenyl)-5-(3-methylphenyl)-1,2-oxazol-3-amine?
4-(2-fluorophenyl)-5-(3-methylphenyl)-1,2-oxazol-3-amine has a molecular weight of 268.29 g/mol, XLogP of 4.04, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluorophenyl)-5-(3-methylphenyl)-1,2-oxazol-3-amine is sourced from PubChem (CID 66199355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).