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

C16H12Cl2N2O — CID 43335610

IUPAC3-(2,6-dichlorophenyl)-4-(2-methylphenyl)-1,2-oxazol-5-amine
SMILESCc1ccccc1-c1c(-c2c(Cl)cccc2Cl)noc1N
InChIInChI=1S/C16H12Cl2N2O/c1-9-5-2-3-6-10(9)13-15(20-21-16(13)19)14-11(17)7-4-8-12(14)18/h2-8H,19H2,1H3
InChIKeyOMIFTNGFDKUBPF-UHFFFAOYSA-N
MW319.19 g/mol
LogP5.21
Rot. Bonds2

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

3-(2,6-dichlorophenyl)-4-(2-methylphenyl)-1,2-oxazol-5-amine (PubChem CID 43335610) has the molecular formula C16H12Cl2N2O and a molecular weight of 319.19 g/mol. Its IUPAC name is 3-(2,6-dichlorophenyl)-4-(2-methylphenyl)-1,2-oxazol-5-amine.

Molecular Properties

Compound Name3-(2,6-dichlorophenyl)-4-(2-methylphenyl)-1,2-oxazol-5-amine
PubChem CID43335610
Molecular FormulaC16H12Cl2N2O
Molecular Weight319.19 g/mol
Exact Mass318.03
IUPAC Name3-(2,6-dichlorophenyl)-4-(2-methylphenyl)-1,2-oxazol-5-amine
SMILESCc1ccccc1-c1c(-c2c(Cl)cccc2Cl)noc1N
InChIInChI=1S/C16H12Cl2N2O/c1-9-5-2-3-6-10(9)13-15(20-21-16(13)19)14-11(17)7-4-8-12(14)18/h2-8H,19H2,1H3
InChIKeyOMIFTNGFDKUBPF-UHFFFAOYSA-N
XLogP5.21
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500319.19
LogP ≤ 55.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2-chloro-6-fluorophenyl)-3-(2-methylphenyl)-1,2-oxazol-5-amine
CID 43158014
4-(2-bromophenyl)-3-(2-chloro-6-fluorophenyl)-1,2-oxazol-5-amine
CID 62828603
3-(3-bromo-4-chlorophenyl)-4-(2-methylphenyl)-1,2-oxazol-5-amine
CID 107988922
3-(2,5-dichlorothiophen-3-yl)-4-(2-methylphenyl)-1,2-oxazol-5-amine
CID 107962857
3-(2,4-dimethylphenyl)-4-(2-methylphenyl)-1,2-oxazol-5-amine
CID 43335592
3-(4-fluorophenyl)-4-(2-methylphenyl)-1,2-oxazol-5-amine
CID 43157945
3-(2-bromofuran-3-yl)-4-(2-methylphenyl)-1,2-oxazol-5-amine
CID 106854737
4-(2-methylphenyl)-3-(1H-pyrazol-5-yl)-1,2-oxazol-5-amine
CID 63080317
4-(2,6-dichlorophenyl)-3-(2-iodophenyl)-1,2-oxazol-5-amine
CID 43335560
4-(2-methylphenyl)-3-pyridazin-4-yl-1,2-oxazol-5-amine
CID 104670744
3-(2-fluoro-5-methylphenyl)-4-(2-methylphenyl)-1,2-oxazol-5-amine
CID 62514498
4-(3-chloro-2-fluorophenyl)-3-(4-methylphenyl)-1,2-oxazol-5-amine
CID 82787791

Frequently Asked Questions

What is the IUPAC name of 3-(2,6-dichlorophenyl)-4-(2-methylphenyl)-1,2-oxazol-5-amine?
The IUPAC name of 3-(2,6-dichlorophenyl)-4-(2-methylphenyl)-1,2-oxazol-5-amine (CID 43335610) is 3-(2,6-dichlorophenyl)-4-(2-methylphenyl)-1,2-oxazol-5-amine.
What is the SMILES notation for 3-(2,6-dichlorophenyl)-4-(2-methylphenyl)-1,2-oxazol-5-amine?
The canonical SMILES for 3-(2,6-dichlorophenyl)-4-(2-methylphenyl)-1,2-oxazol-5-amine is Cc1ccccc1-c1c(-c2c(Cl)cccc2Cl)noc1N.
What is the InChIKey of 3-(2,6-dichlorophenyl)-4-(2-methylphenyl)-1,2-oxazol-5-amine?
The InChIKey is OMIFTNGFDKUBPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12Cl2N2O/c1-9-5-2-3-6-10(9)13-15(20-21-16(13)19)14-11(17)7-4-8-12(14)18/h2-8H,19H2,1H3.
What are the key properties of 3-(2,6-dichlorophenyl)-4-(2-methylphenyl)-1,2-oxazol-5-amine?
3-(2,6-dichlorophenyl)-4-(2-methylphenyl)-1,2-oxazol-5-amine has a molecular weight of 319.19 g/mol, XLogP of 5.21, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,6-dichlorophenyl)-4-(2-methylphenyl)-1,2-oxazol-5-amine is sourced from PubChem (CID 43335610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).