4-[2-tert-butyl-4-(4-fluorophenyl)sulfonyl-1,3-oxazol-5-yl]morpholine

C17H21FN2O4S — CID 18889829

IUPAC4-[2-tert-butyl-4-(4-fluorophenyl)sulfonyl-1,3-oxazol-5-yl]morpholine
SMILESCC(C)(C)c1nc(S(=O)(=O)c2ccc(F)cc2)c(N2CCOCC2)o1
InChIInChI=1S/C17H21FN2O4S/c1-17(2,3)16-19-14(15(24-16)20-8-10-23-11-9-20)25(21,22)13-6-4-12(18)5-7-13/h4-7H,8-11H2,1-3H3
InChIKeyFCBRMTMIFMTLSE-UHFFFAOYSA-N
MW368.43 g/mol
LogP2.78
Rot. Bonds3

About 4-[2-tert-butyl-4-(4-fluorophenyl)sulfonyl-1,3-oxazol-5-yl]morpholine

4-[2-tert-butyl-4-(4-fluorophenyl)sulfonyl-1,3-oxazol-5-yl]morpholine (PubChem CID 18889829) has the molecular formula C17H21FN2O4S and a molecular weight of 368.43 g/mol. Its IUPAC name is 4-[2-tert-butyl-4-(4-fluorophenyl)sulfonyl-1,3-oxazol-5-yl]morpholine.

Molecular Properties

Compound Name4-[2-tert-butyl-4-(4-fluorophenyl)sulfonyl-1,3-oxazol-5-yl]morpholine
PubChem CID18889829
Molecular FormulaC17H21FN2O4S
Molecular Weight368.43 g/mol
Exact Mass368.12
IUPAC Name4-[2-tert-butyl-4-(4-fluorophenyl)sulfonyl-1,3-oxazol-5-yl]morpholine
SMILESCC(C)(C)c1nc(S(=O)(=O)c2ccc(F)cc2)c(N2CCOCC2)o1
InChIInChI=1S/C17H21FN2O4S/c1-17(2,3)16-19-14(15(24-16)20-8-10-23-11-9-20)25(21,22)13-6-4-12(18)5-7-13/h4-7H,8-11H2,1-3H3
InChIKeyFCBRMTMIFMTLSE-UHFFFAOYSA-N
XLogP2.78
TPSA72.64 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.43
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[2-tert-butyl-4-(4-fluorophenyl)sulfonyl-1,3-oxazol-5-yl]morpholine?
The IUPAC name of 4-[2-tert-butyl-4-(4-fluorophenyl)sulfonyl-1,3-oxazol-5-yl]morpholine (CID 18889829) is 4-[2-tert-butyl-4-(4-fluorophenyl)sulfonyl-1,3-oxazol-5-yl]morpholine.
What is the SMILES notation for 4-[2-tert-butyl-4-(4-fluorophenyl)sulfonyl-1,3-oxazol-5-yl]morpholine?
The canonical SMILES for 4-[2-tert-butyl-4-(4-fluorophenyl)sulfonyl-1,3-oxazol-5-yl]morpholine is CC(C)(C)c1nc(S(=O)(=O)c2ccc(F)cc2)c(N2CCOCC2)o1.
What is the InChIKey of 4-[2-tert-butyl-4-(4-fluorophenyl)sulfonyl-1,3-oxazol-5-yl]morpholine?
The InChIKey is FCBRMTMIFMTLSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21FN2O4S/c1-17(2,3)16-19-14(15(24-16)20-8-10-23-11-9-20)25(21,22)13-6-4-12(18)5-7-13/h4-7H,8-11H2,1-3H3.
What are the key properties of 4-[2-tert-butyl-4-(4-fluorophenyl)sulfonyl-1,3-oxazol-5-yl]morpholine?
4-[2-tert-butyl-4-(4-fluorophenyl)sulfonyl-1,3-oxazol-5-yl]morpholine has a molecular weight of 368.43 g/mol, XLogP of 2.78, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-tert-butyl-4-(4-fluorophenyl)sulfonyl-1,3-oxazol-5-yl]morpholine is sourced from PubChem (CID 18889829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).