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

C16H13FN2O — CID 62830483

IUPAC3-(4-fluorophenyl)-4-(4-methylphenyl)-1,2-oxazol-5-amine
SMILESCc1ccc(-c2c(-c3ccc(F)cc3)noc2N)cc1
InChIInChI=1S/C16H13FN2O/c1-10-2-4-11(5-3-10)14-15(19-20-16(14)18)12-6-8-13(17)9-7-12/h2-9H,18H2,1H3
InChIKeyYRTYUXBIHKAIFX-UHFFFAOYSA-N
MW268.29 g/mol
LogP4.04
Rot. Bonds2

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

3-(4-fluorophenyl)-4-(4-methylphenyl)-1,2-oxazol-5-amine (PubChem CID 62830483) has the molecular formula C16H13FN2O and a molecular weight of 268.29 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-4-(4-methylphenyl)-1,2-oxazol-5-amine.

Molecular Properties

Compound Name3-(4-fluorophenyl)-4-(4-methylphenyl)-1,2-oxazol-5-amine
PubChem CID62830483
Molecular FormulaC16H13FN2O
Molecular Weight268.29 g/mol
Exact Mass268.10
IUPAC Name3-(4-fluorophenyl)-4-(4-methylphenyl)-1,2-oxazol-5-amine
SMILESCc1ccc(-c2c(-c3ccc(F)cc3)noc2N)cc1
InChIInChI=1S/C16H13FN2O/c1-10-2-4-11(5-3-10)14-15(19-20-16(14)18)12-6-8-13(17)9-7-12/h2-9H,18H2,1H3
InChIKeyYRTYUXBIHKAIFX-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 3-(4-fluorophenyl)-4-(4-methylphenyl)-1,2-oxazol-5-amine?
The IUPAC name of 3-(4-fluorophenyl)-4-(4-methylphenyl)-1,2-oxazol-5-amine (CID 62830483) is 3-(4-fluorophenyl)-4-(4-methylphenyl)-1,2-oxazol-5-amine.
What is the SMILES notation for 3-(4-fluorophenyl)-4-(4-methylphenyl)-1,2-oxazol-5-amine?
The canonical SMILES for 3-(4-fluorophenyl)-4-(4-methylphenyl)-1,2-oxazol-5-amine is Cc1ccc(-c2c(-c3ccc(F)cc3)noc2N)cc1.
What is the InChIKey of 3-(4-fluorophenyl)-4-(4-methylphenyl)-1,2-oxazol-5-amine?
The InChIKey is YRTYUXBIHKAIFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13FN2O/c1-10-2-4-11(5-3-10)14-15(19-20-16(14)18)12-6-8-13(17)9-7-12/h2-9H,18H2,1H3.
What are the key properties of 3-(4-fluorophenyl)-4-(4-methylphenyl)-1,2-oxazol-5-amine?
3-(4-fluorophenyl)-4-(4-methylphenyl)-1,2-oxazol-5-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 3-(4-fluorophenyl)-4-(4-methylphenyl)-1,2-oxazol-5-amine is sourced from PubChem (CID 62830483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).