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

C18H15FN2O3S — CID 4825655

IUPAC4-(benzenesulfonyl)-N-cyclopropyl-2-(4-fluorophenyl)-1,3-oxazol-5-amine
SMILESO=S(=O)(c1ccccc1)c1nc(-c2ccc(F)cc2)oc1NC1CC1
InChIInChI=1S/C18H15FN2O3S/c19-13-8-6-12(7-9-13)16-21-18(17(24-16)20-14-10-11-14)25(22,23)15-4-2-1-3-5-15/h1-9,14,20H,10-11H2
InChIKeyMXUWOTKBMLJHAK-UHFFFAOYSA-N
MW358.39 g/mol
LogP3.89
Rot. Bonds5

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

4-(benzenesulfonyl)-N-cyclopropyl-2-(4-fluorophenyl)-1,3-oxazol-5-amine (PubChem CID 4825655) has the molecular formula C18H15FN2O3S and a molecular weight of 358.39 g/mol. Its IUPAC name is 4-(benzenesulfonyl)-N-cyclopropyl-2-(4-fluorophenyl)-1,3-oxazol-5-amine.

Molecular Properties

Compound Name4-(benzenesulfonyl)-N-cyclopropyl-2-(4-fluorophenyl)-1,3-oxazol-5-amine
PubChem CID4825655
Molecular FormulaC18H15FN2O3S
Molecular Weight358.39 g/mol
Exact Mass358.08
IUPAC Name4-(benzenesulfonyl)-N-cyclopropyl-2-(4-fluorophenyl)-1,3-oxazol-5-amine
SMILESO=S(=O)(c1ccccc1)c1nc(-c2ccc(F)cc2)oc1NC1CC1
InChIInChI=1S/C18H15FN2O3S/c19-13-8-6-12(7-9-13)16-21-18(17(24-16)20-14-10-11-14)25(22,23)15-4-2-1-3-5-15/h1-9,14,20H,10-11H2
InChIKeyMXUWOTKBMLJHAK-UHFFFAOYSA-N
XLogP3.89
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.39
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(benzenesulfonyl)-N-cyclopropyl-2-(4-fluorophenyl)-1,3-oxazol-5-amine?
The IUPAC name of 4-(benzenesulfonyl)-N-cyclopropyl-2-(4-fluorophenyl)-1,3-oxazol-5-amine (CID 4825655) is 4-(benzenesulfonyl)-N-cyclopropyl-2-(4-fluorophenyl)-1,3-oxazol-5-amine.
What is the SMILES notation for 4-(benzenesulfonyl)-N-cyclopropyl-2-(4-fluorophenyl)-1,3-oxazol-5-amine?
The canonical SMILES for 4-(benzenesulfonyl)-N-cyclopropyl-2-(4-fluorophenyl)-1,3-oxazol-5-amine is O=S(=O)(c1ccccc1)c1nc(-c2ccc(F)cc2)oc1NC1CC1.
What is the InChIKey of 4-(benzenesulfonyl)-N-cyclopropyl-2-(4-fluorophenyl)-1,3-oxazol-5-amine?
The InChIKey is MXUWOTKBMLJHAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15FN2O3S/c19-13-8-6-12(7-9-13)16-21-18(17(24-16)20-14-10-11-14)25(22,23)15-4-2-1-3-5-15/h1-9,14,20H,10-11H2.
What are the key properties of 4-(benzenesulfonyl)-N-cyclopropyl-2-(4-fluorophenyl)-1,3-oxazol-5-amine?
4-(benzenesulfonyl)-N-cyclopropyl-2-(4-fluorophenyl)-1,3-oxazol-5-amine has a molecular weight of 358.39 g/mol, XLogP of 3.89, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(benzenesulfonyl)-N-cyclopropyl-2-(4-fluorophenyl)-1,3-oxazol-5-amine is sourced from PubChem (CID 4825655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).