5-(4-fluorophenyl)-N-(3-methylsulfonylphenyl)-1,3-oxazol-2-amine

C16H13FN2O3S — CID 18439711

IUPAC5-(4-fluorophenyl)-N-(3-methylsulfonylphenyl)-1,3-oxazol-2-amine
SMILESCS(=O)(=O)c1cccc(Nc2ncc(-c3ccc(F)cc3)o2)c1
InChIInChI=1S/C16H13FN2O3S/c1-23(20,21)14-4-2-3-13(9-14)19-16-18-10-15(22-16)11-5-7-12(17)8-6-11/h2-10H,1H3,(H,18,19)
InChIKeyRIMLBMSBXVRCKX-UHFFFAOYSA-N
MW332.36 g/mol
LogP3.63
Rot. Bonds4

About 5-(4-fluorophenyl)-N-(3-methylsulfonylphenyl)-1,3-oxazol-2-amine

5-(4-fluorophenyl)-N-(3-methylsulfonylphenyl)-1,3-oxazol-2-amine (PubChem CID 18439711) has the molecular formula C16H13FN2O3S and a molecular weight of 332.36 g/mol. Its IUPAC name is 5-(4-fluorophenyl)-N-(3-methylsulfonylphenyl)-1,3-oxazol-2-amine.

Molecular Properties

Compound Name5-(4-fluorophenyl)-N-(3-methylsulfonylphenyl)-1,3-oxazol-2-amine
PubChem CID18439711
Molecular FormulaC16H13FN2O3S
Molecular Weight332.36 g/mol
Exact Mass332.06
IUPAC Name5-(4-fluorophenyl)-N-(3-methylsulfonylphenyl)-1,3-oxazol-2-amine
SMILESCS(=O)(=O)c1cccc(Nc2ncc(-c3ccc(F)cc3)o2)c1
InChIInChI=1S/C16H13FN2O3S/c1-23(20,21)14-4-2-3-13(9-14)19-16-18-10-15(22-16)11-5-7-12(17)8-6-11/h2-10H,1H3,(H,18,19)
InChIKeyRIMLBMSBXVRCKX-UHFFFAOYSA-N
XLogP3.63
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.36
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(4-fluorophenyl)-N-(3-methylsulfonylphenyl)-1,3-oxazol-2-amine?
The IUPAC name of 5-(4-fluorophenyl)-N-(3-methylsulfonylphenyl)-1,3-oxazol-2-amine (CID 18439711) is 5-(4-fluorophenyl)-N-(3-methylsulfonylphenyl)-1,3-oxazol-2-amine.
What is the SMILES notation for 5-(4-fluorophenyl)-N-(3-methylsulfonylphenyl)-1,3-oxazol-2-amine?
The canonical SMILES for 5-(4-fluorophenyl)-N-(3-methylsulfonylphenyl)-1,3-oxazol-2-amine is CS(=O)(=O)c1cccc(Nc2ncc(-c3ccc(F)cc3)o2)c1.
What is the InChIKey of 5-(4-fluorophenyl)-N-(3-methylsulfonylphenyl)-1,3-oxazol-2-amine?
The InChIKey is RIMLBMSBXVRCKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13FN2O3S/c1-23(20,21)14-4-2-3-13(9-14)19-16-18-10-15(22-16)11-5-7-12(17)8-6-11/h2-10H,1H3,(H,18,19).
What are the key properties of 5-(4-fluorophenyl)-N-(3-methylsulfonylphenyl)-1,3-oxazol-2-amine?
5-(4-fluorophenyl)-N-(3-methylsulfonylphenyl)-1,3-oxazol-2-amine has a molecular weight of 332.36 g/mol, XLogP of 3.63, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorophenyl)-N-(3-methylsulfonylphenyl)-1,3-oxazol-2-amine is sourced from PubChem (CID 18439711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).