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

C16H12F2N2O — CID 62830128

IUPAC3-(2,4-difluorophenyl)-4-(3-methylphenyl)-1,2-oxazol-5-amine
SMILESCc1cccc(-c2c(-c3ccc(F)cc3F)noc2N)c1
InChIInChI=1S/C16H12F2N2O/c1-9-3-2-4-10(7-9)14-15(20-21-16(14)19)12-6-5-11(17)8-13(12)18/h2-8H,19H2,1H3
InChIKeyTXGARMKVWKYCSR-UHFFFAOYSA-N
MW286.28 g/mol
LogP4.18
Rot. Bonds2

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

3-(2,4-difluorophenyl)-4-(3-methylphenyl)-1,2-oxazol-5-amine (PubChem CID 62830128) has the molecular formula C16H12F2N2O and a molecular weight of 286.28 g/mol. Its IUPAC name is 3-(2,4-difluorophenyl)-4-(3-methylphenyl)-1,2-oxazol-5-amine.

Molecular Properties

Compound Name3-(2,4-difluorophenyl)-4-(3-methylphenyl)-1,2-oxazol-5-amine
PubChem CID62830128
Molecular FormulaC16H12F2N2O
Molecular Weight286.28 g/mol
Exact Mass286.09
IUPAC Name3-(2,4-difluorophenyl)-4-(3-methylphenyl)-1,2-oxazol-5-amine
SMILESCc1cccc(-c2c(-c3ccc(F)cc3F)noc2N)c1
InChIInChI=1S/C16H12F2N2O/c1-9-3-2-4-10(7-9)14-15(20-21-16(14)19)12-6-5-11(17)8-13(12)18/h2-8H,19H2,1H3
InChIKeyTXGARMKVWKYCSR-UHFFFAOYSA-N
XLogP4.18
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.28
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-fluorophenyl)-4-(3-methylphenyl)-1,2-oxazol-5-amine
CID 62829957
4-(2,4-difluorophenyl)-3-(2-fluorophenyl)-1,2-oxazol-5-amine
CID 64559713
3-(2-chloro-6-fluorophenyl)-4-(3-methylphenyl)-1,2-oxazol-5-amine
CID 62830824
4-(3-methylphenyl)-3-phenyl-1,2-oxazol-5-amine
CID 62829774
3-(2-methylfuran-3-yl)-4-(3-methylphenyl)-1,2-oxazol-5-amine
CID 62828557
4-(3-fluorophenyl)-3-(2-methylphenyl)-1,2-oxazol-5-amine
CID 43336065
3-(4-chlorophenyl)-4-(3-methylphenyl)-1,2-oxazol-5-amine
CID 62829610
3-(2,5-dimethylfuran-3-yl)-4-(3-fluorophenyl)-1,2-oxazol-5-amine
CID 43336035
3-(4-chloro-2-fluorophenyl)-4-phenyl-1,2-oxazol-5-amine
CID 43335730
3-(2-bromo-4-chlorophenyl)-4-(3-fluorophenyl)-1,2-oxazol-5-amine
CID 107988941
3-(2-chloro-4-fluorophenyl)-4-phenyl-1,2-oxazol-5-amine
CID 43158039
3-(2,5-dimethylphenyl)-4-(4-fluorophenyl)-1,2-oxazol-5-amine
CID 43158169

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-difluorophenyl)-4-(3-methylphenyl)-1,2-oxazol-5-amine?
The IUPAC name of 3-(2,4-difluorophenyl)-4-(3-methylphenyl)-1,2-oxazol-5-amine (CID 62830128) is 3-(2,4-difluorophenyl)-4-(3-methylphenyl)-1,2-oxazol-5-amine.
What is the SMILES notation for 3-(2,4-difluorophenyl)-4-(3-methylphenyl)-1,2-oxazol-5-amine?
The canonical SMILES for 3-(2,4-difluorophenyl)-4-(3-methylphenyl)-1,2-oxazol-5-amine is Cc1cccc(-c2c(-c3ccc(F)cc3F)noc2N)c1.
What is the InChIKey of 3-(2,4-difluorophenyl)-4-(3-methylphenyl)-1,2-oxazol-5-amine?
The InChIKey is TXGARMKVWKYCSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F2N2O/c1-9-3-2-4-10(7-9)14-15(20-21-16(14)19)12-6-5-11(17)8-13(12)18/h2-8H,19H2,1H3.
What are the key properties of 3-(2,4-difluorophenyl)-4-(3-methylphenyl)-1,2-oxazol-5-amine?
3-(2,4-difluorophenyl)-4-(3-methylphenyl)-1,2-oxazol-5-amine has a molecular weight of 286.28 g/mol, XLogP of 4.18, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-difluorophenyl)-4-(3-methylphenyl)-1,2-oxazol-5-amine is sourced from PubChem (CID 62830128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).