4-(4-fluorophenyl)sulfonyl-2-(furan-2-yl)-N-(oxolan-2-ylmethyl)-1,3-oxazol-5-amine

C18H17FN2O5S — CID 6914906

IUPAC4-(4-fluorophenyl)sulfonyl-2-(furan-2-yl)-N-(oxolan-2-ylmethyl)-1,3-oxazol-5-amine
SMILESO=S(=O)(c1ccc(F)cc1)c1nc(-c2ccco2)oc1NCC1CCCO1
InChIInChI=1S/C18H17FN2O5S/c19-12-5-7-14(8-6-12)27(22,23)18-17(20-11-13-3-1-9-24-13)26-16(21-18)15-4-2-10-25-15/h2,4-8,10,13,20H,1,3,9,11H2
InChIKeyKDOLRBPPEWEZGU-UHFFFAOYSA-N
MW392.41 g/mol
LogP3.50
Rot. Bonds6

About 4-(4-fluorophenyl)sulfonyl-2-(furan-2-yl)-N-(oxolan-2-ylmethyl)-1,3-oxazol-5-amine

4-(4-fluorophenyl)sulfonyl-2-(furan-2-yl)-N-(oxolan-2-ylmethyl)-1,3-oxazol-5-amine (PubChem CID 6914906) has the molecular formula C18H17FN2O5S and a molecular weight of 392.41 g/mol. Its IUPAC name is 4-(4-fluorophenyl)sulfonyl-2-(furan-2-yl)-N-(oxolan-2-ylmethyl)-1,3-oxazol-5-amine.

Molecular Properties

Compound Name4-(4-fluorophenyl)sulfonyl-2-(furan-2-yl)-N-(oxolan-2-ylmethyl)-1,3-oxazol-5-amine
PubChem CID6914906
Molecular FormulaC18H17FN2O5S
Molecular Weight392.41 g/mol
Exact Mass392.08
IUPAC Name4-(4-fluorophenyl)sulfonyl-2-(furan-2-yl)-N-(oxolan-2-ylmethyl)-1,3-oxazol-5-amine
SMILESO=S(=O)(c1ccc(F)cc1)c1nc(-c2ccco2)oc1NCC1CCCO1
InChIInChI=1S/C18H17FN2O5S/c19-12-5-7-14(8-6-12)27(22,23)18-17(20-11-13-3-1-9-24-13)26-16(21-18)15-4-2-10-25-15/h2,4-8,10,13,20H,1,3,9,11H2
InChIKeyKDOLRBPPEWEZGU-UHFFFAOYSA-N
XLogP3.50
TPSA94.57 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.41
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)sulfonyl-2-(furan-2-yl)-N-(oxolan-2-ylmethyl)-1,3-oxazol-5-amine?
The IUPAC name of 4-(4-fluorophenyl)sulfonyl-2-(furan-2-yl)-N-(oxolan-2-ylmethyl)-1,3-oxazol-5-amine (CID 6914906) is 4-(4-fluorophenyl)sulfonyl-2-(furan-2-yl)-N-(oxolan-2-ylmethyl)-1,3-oxazol-5-amine.
What is the SMILES notation for 4-(4-fluorophenyl)sulfonyl-2-(furan-2-yl)-N-(oxolan-2-ylmethyl)-1,3-oxazol-5-amine?
The canonical SMILES for 4-(4-fluorophenyl)sulfonyl-2-(furan-2-yl)-N-(oxolan-2-ylmethyl)-1,3-oxazol-5-amine is O=S(=O)(c1ccc(F)cc1)c1nc(-c2ccco2)oc1NCC1CCCO1.
What is the InChIKey of 4-(4-fluorophenyl)sulfonyl-2-(furan-2-yl)-N-(oxolan-2-ylmethyl)-1,3-oxazol-5-amine?
The InChIKey is KDOLRBPPEWEZGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN2O5S/c19-12-5-7-14(8-6-12)27(22,23)18-17(20-11-13-3-1-9-24-13)26-16(21-18)15-4-2-10-25-15/h2,4-8,10,13,20H,1,3,9,11H2.
What are the key properties of 4-(4-fluorophenyl)sulfonyl-2-(furan-2-yl)-N-(oxolan-2-ylmethyl)-1,3-oxazol-5-amine?
4-(4-fluorophenyl)sulfonyl-2-(furan-2-yl)-N-(oxolan-2-ylmethyl)-1,3-oxazol-5-amine has a molecular weight of 392.41 g/mol, XLogP of 3.50, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)sulfonyl-2-(furan-2-yl)-N-(oxolan-2-ylmethyl)-1,3-oxazol-5-amine is sourced from PubChem (CID 6914906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).