3-(2-chloro-6-fluorophenyl)-4-(3-methylphenyl)-1,2-oxazol-5-amine

C16H12ClFN2O — CID 62830824

IUPAC3-(2-chloro-6-fluorophenyl)-4-(3-methylphenyl)-1,2-oxazol-5-amine
SMILESCc1cccc(-c2c(-c3c(F)cccc3Cl)noc2N)c1
InChIInChI=1S/C16H12ClFN2O/c1-9-4-2-5-10(8-9)13-15(20-21-16(13)19)14-11(17)6-3-7-12(14)18/h2-8H,19H2,1H3
InChIKeyRBYONEBWOVHMEE-UHFFFAOYSA-N
MW302.74 g/mol
LogP4.69
Rot. Bonds2

About 3-(2-chloro-6-fluorophenyl)-4-(3-methylphenyl)-1,2-oxazol-5-amine

3-(2-chloro-6-fluorophenyl)-4-(3-methylphenyl)-1,2-oxazol-5-amine (PubChem CID 62830824) has the molecular formula C16H12ClFN2O and a molecular weight of 302.74 g/mol. Its IUPAC name is 3-(2-chloro-6-fluorophenyl)-4-(3-methylphenyl)-1,2-oxazol-5-amine.

Molecular Properties

Compound Name3-(2-chloro-6-fluorophenyl)-4-(3-methylphenyl)-1,2-oxazol-5-amine
PubChem CID62830824
Molecular FormulaC16H12ClFN2O
Molecular Weight302.74 g/mol
Exact Mass302.06
IUPAC Name3-(2-chloro-6-fluorophenyl)-4-(3-methylphenyl)-1,2-oxazol-5-amine
SMILESCc1cccc(-c2c(-c3c(F)cccc3Cl)noc2N)c1
InChIInChI=1S/C16H12ClFN2O/c1-9-4-2-5-10(8-9)13-15(20-21-16(13)19)14-11(17)6-3-7-12(14)18/h2-8H,19H2,1H3
InChIKeyRBYONEBWOVHMEE-UHFFFAOYSA-N
XLogP4.69
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.74
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(2-chloro-6-fluorophenyl)-4-(3-methylphenyl)-1,2-oxazol-5-amine?
The IUPAC name of 3-(2-chloro-6-fluorophenyl)-4-(3-methylphenyl)-1,2-oxazol-5-amine (CID 62830824) is 3-(2-chloro-6-fluorophenyl)-4-(3-methylphenyl)-1,2-oxazol-5-amine.
What is the SMILES notation for 3-(2-chloro-6-fluorophenyl)-4-(3-methylphenyl)-1,2-oxazol-5-amine?
The canonical SMILES for 3-(2-chloro-6-fluorophenyl)-4-(3-methylphenyl)-1,2-oxazol-5-amine is Cc1cccc(-c2c(-c3c(F)cccc3Cl)noc2N)c1.
What is the InChIKey of 3-(2-chloro-6-fluorophenyl)-4-(3-methylphenyl)-1,2-oxazol-5-amine?
The InChIKey is RBYONEBWOVHMEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClFN2O/c1-9-4-2-5-10(8-9)13-15(20-21-16(13)19)14-11(17)6-3-7-12(14)18/h2-8H,19H2,1H3.
What are the key properties of 3-(2-chloro-6-fluorophenyl)-4-(3-methylphenyl)-1,2-oxazol-5-amine?
3-(2-chloro-6-fluorophenyl)-4-(3-methylphenyl)-1,2-oxazol-5-amine has a molecular weight of 302.74 g/mol, XLogP of 4.69, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chloro-6-fluorophenyl)-4-(3-methylphenyl)-1,2-oxazol-5-amine is sourced from PubChem (CID 62830824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).