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

C16H12ClFN2O — CID 43158014

IUPAC4-(2-chloro-6-fluorophenyl)-3-(2-methylphenyl)-1,2-oxazol-5-amine
SMILESCc1ccccc1-c1noc(N)c1-c1c(F)cccc1Cl
InChIInChI=1S/C16H12ClFN2O/c1-9-5-2-3-6-10(9)15-14(16(19)21-20-15)13-11(17)7-4-8-12(13)18/h2-8H,19H2,1H3
InChIKeyRXEZWQCKECSPOC-UHFFFAOYSA-N
MW302.74 g/mol
LogP4.69
Rot. Bonds2

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

4-(2-chloro-6-fluorophenyl)-3-(2-methylphenyl)-1,2-oxazol-5-amine (PubChem CID 43158014) has the molecular formula C16H12ClFN2O and a molecular weight of 302.74 g/mol. Its IUPAC name is 4-(2-chloro-6-fluorophenyl)-3-(2-methylphenyl)-1,2-oxazol-5-amine.

Molecular Properties

Compound Name4-(2-chloro-6-fluorophenyl)-3-(2-methylphenyl)-1,2-oxazol-5-amine
PubChem CID43158014
Molecular FormulaC16H12ClFN2O
Molecular Weight302.74 g/mol
Exact Mass302.06
IUPAC Name4-(2-chloro-6-fluorophenyl)-3-(2-methylphenyl)-1,2-oxazol-5-amine
SMILESCc1ccccc1-c1noc(N)c1-c1c(F)cccc1Cl
InChIInChI=1S/C16H12ClFN2O/c1-9-5-2-3-6-10(9)15-14(16(19)21-20-15)13-11(17)7-4-8-12(13)18/h2-8H,19H2,1H3
InChIKeyRXEZWQCKECSPOC-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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Related Compounds

3-(2,6-dichlorophenyl)-4-(2-methylphenyl)-1,2-oxazol-5-amine
CID 43335610
4-(2-bromophenyl)-3-(2-chloro-6-fluorophenyl)-1,2-oxazol-5-amine
CID 62828603
4-(4-fluorophenyl)-3-(2-methylphenyl)-1,2-oxazol-5-amine
CID 43335890
4-(2-chloro-6-fluorophenyl)-3-(2,5-dibromothiophen-3-yl)-1,2-oxazol-5-amine
CID 107962865
4-(2-chloro-6-fluorophenyl)-3-(3-chlorophenyl)-1,2-oxazol-5-amine
CID 43335685
3-(4-bromophenyl)-4-(2-chloro-6-fluorophenyl)-1,2-oxazol-5-amine
CID 43335687
4-(3-fluorophenyl)-3-(2-methylphenyl)-1,2-oxazol-5-amine
CID 43336065
4-(2-chloro-6-fluorophenyl)-3-(3-chlorothiophen-2-yl)-1,2-oxazol-5-amine
CID 80645373
4-(2,6-dichlorophenyl)-3-(2-iodophenyl)-1,2-oxazol-5-amine
CID 43335560
3-(5-bromofuran-2-yl)-4-(2-chloro-6-fluorophenyl)-1,2-oxazol-5-amine
CID 43335681
3-(2-fluoro-5-methylphenyl)-4-(2-methylphenyl)-1,2-oxazol-5-amine
CID 62514498
4-(2-chloro-6-fluorophenyl)-3-(5-fluoro-3-pyridinyl)-1,2-oxazol-5-amine
CID 104785999

Frequently Asked Questions

What is the IUPAC name of 4-(2-chloro-6-fluorophenyl)-3-(2-methylphenyl)-1,2-oxazol-5-amine?
The IUPAC name of 4-(2-chloro-6-fluorophenyl)-3-(2-methylphenyl)-1,2-oxazol-5-amine (CID 43158014) is 4-(2-chloro-6-fluorophenyl)-3-(2-methylphenyl)-1,2-oxazol-5-amine.
What is the SMILES notation for 4-(2-chloro-6-fluorophenyl)-3-(2-methylphenyl)-1,2-oxazol-5-amine?
The canonical SMILES for 4-(2-chloro-6-fluorophenyl)-3-(2-methylphenyl)-1,2-oxazol-5-amine is Cc1ccccc1-c1noc(N)c1-c1c(F)cccc1Cl.
What is the InChIKey of 4-(2-chloro-6-fluorophenyl)-3-(2-methylphenyl)-1,2-oxazol-5-amine?
The InChIKey is RXEZWQCKECSPOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClFN2O/c1-9-5-2-3-6-10(9)15-14(16(19)21-20-15)13-11(17)7-4-8-12(13)18/h2-8H,19H2,1H3.
What are the key properties of 4-(2-chloro-6-fluorophenyl)-3-(2-methylphenyl)-1,2-oxazol-5-amine?
4-(2-chloro-6-fluorophenyl)-3-(2-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 4-(2-chloro-6-fluorophenyl)-3-(2-methylphenyl)-1,2-oxazol-5-amine is sourced from PubChem (CID 43158014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).