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

C17H15FN2O3S — CID 1244742

IUPAC2-(2-fluorophenyl)-N-methyl-4-(4-methylphenyl)sulfonyl-1,3-oxazol-5-amine
SMILESCNc1oc(-c2ccccc2F)nc1S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C17H15FN2O3S/c1-11-7-9-12(10-8-11)24(21,22)17-16(19-2)23-15(20-17)13-5-3-4-6-14(13)18/h3-10,19H,1-2H3
InChIKeyJOCYEOGLFDCSOT-UHFFFAOYSA-N
MW346.38 g/mol
LogP3.66
Rot. Bonds4

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

2-(2-fluorophenyl)-N-methyl-4-(4-methylphenyl)sulfonyl-1,3-oxazol-5-amine (PubChem CID 1244742) has the molecular formula C17H15FN2O3S and a molecular weight of 346.38 g/mol. Its IUPAC name is 2-(2-fluorophenyl)-N-methyl-4-(4-methylphenyl)sulfonyl-1,3-oxazol-5-amine.

Molecular Properties

Compound Name2-(2-fluorophenyl)-N-methyl-4-(4-methylphenyl)sulfonyl-1,3-oxazol-5-amine
PubChem CID1244742
Molecular FormulaC17H15FN2O3S
Molecular Weight346.38 g/mol
Exact Mass346.08
IUPAC Name2-(2-fluorophenyl)-N-methyl-4-(4-methylphenyl)sulfonyl-1,3-oxazol-5-amine
SMILESCNc1oc(-c2ccccc2F)nc1S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C17H15FN2O3S/c1-11-7-9-12(10-8-11)24(21,22)17-16(19-2)23-15(20-17)13-5-3-4-6-14(13)18/h3-10,19H,1-2H3
InChIKeyJOCYEOGLFDCSOT-UHFFFAOYSA-N
XLogP3.66
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.38
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenyl)-N-methyl-4-(4-methylphenyl)sulfonyl-1,3-oxazol-5-amine?
The IUPAC name of 2-(2-fluorophenyl)-N-methyl-4-(4-methylphenyl)sulfonyl-1,3-oxazol-5-amine (CID 1244742) is 2-(2-fluorophenyl)-N-methyl-4-(4-methylphenyl)sulfonyl-1,3-oxazol-5-amine.
What is the SMILES notation for 2-(2-fluorophenyl)-N-methyl-4-(4-methylphenyl)sulfonyl-1,3-oxazol-5-amine?
The canonical SMILES for 2-(2-fluorophenyl)-N-methyl-4-(4-methylphenyl)sulfonyl-1,3-oxazol-5-amine is CNc1oc(-c2ccccc2F)nc1S(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of 2-(2-fluorophenyl)-N-methyl-4-(4-methylphenyl)sulfonyl-1,3-oxazol-5-amine?
The InChIKey is JOCYEOGLFDCSOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN2O3S/c1-11-7-9-12(10-8-11)24(21,22)17-16(19-2)23-15(20-17)13-5-3-4-6-14(13)18/h3-10,19H,1-2H3.
What are the key properties of 2-(2-fluorophenyl)-N-methyl-4-(4-methylphenyl)sulfonyl-1,3-oxazol-5-amine?
2-(2-fluorophenyl)-N-methyl-4-(4-methylphenyl)sulfonyl-1,3-oxazol-5-amine has a molecular weight of 346.38 g/mol, XLogP of 3.66, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenyl)-N-methyl-4-(4-methylphenyl)sulfonyl-1,3-oxazol-5-amine is sourced from PubChem (CID 1244742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).