4-[[6-[[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methylsulfanyl]-3-pyridinyl]sulfonyl]morpholine

C19H18FN3O4S2 — CID 33343698

IUPAC4-[[6-[[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methylsulfanyl]-3-pyridinyl]sulfonyl]morpholine
SMILESO=S(=O)(c1ccc(SCc2coc(-c3cccc(F)c3)n2)nc1)N1CCOCC1
InChIInChI=1S/C19H18FN3O4S2/c20-15-3-1-2-14(10-15)19-22-16(12-27-19)13-28-18-5-4-17(11-21-18)29(24,25)23-6-8-26-9-7-23/h1-5,10-12H,6-9,13H2
InChIKeyVNZWRCVVANMXMY-UHFFFAOYSA-N
MW435.50 g/mol
LogP3.19
Rot. Bonds6

About 4-[[6-[[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methylsulfanyl]-3-pyridinyl]sulfonyl]morpholine

4-[[6-[[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methylsulfanyl]-3-pyridinyl]sulfonyl]morpholine (PubChem CID 33343698) has the molecular formula C19H18FN3O4S2 and a molecular weight of 435.50 g/mol. Its IUPAC name is 4-[[6-[[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methylsulfanyl]-3-pyridinyl]sulfonyl]morpholine.

Molecular Properties

Compound Name4-[[6-[[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methylsulfanyl]-3-pyridinyl]sulfonyl]morpholine
PubChem CID33343698
Molecular FormulaC19H18FN3O4S2
Molecular Weight435.50 g/mol
Exact Mass435.07
IUPAC Name4-[[6-[[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methylsulfanyl]-3-pyridinyl]sulfonyl]morpholine
SMILESO=S(=O)(c1ccc(SCc2coc(-c3cccc(F)c3)n2)nc1)N1CCOCC1
InChIInChI=1S/C19H18FN3O4S2/c20-15-3-1-2-14(10-15)19-22-16(12-27-19)13-28-18-5-4-17(11-21-18)29(24,25)23-6-8-26-9-7-23/h1-5,10-12H,6-9,13H2
InChIKeyVNZWRCVVANMXMY-UHFFFAOYSA-N
XLogP3.19
TPSA85.53 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.50
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 4-[[6-[[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methylsulfanyl]-3-pyridinyl]sulfonyl]morpholine with MolForge

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Related Compounds

2-(3-fluorophenyl)-4-[(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)sulfanylmethyl]-1,3-oxazole
CID 33344129
2-(3-fluorophenyl)-4-[(5-piperidin-1-ylsulfonyl-2-pyridinyl)sulfanylmethyl]-1,3-oxazole
CID 33342843
4-[[6-[(5-bromo-2-fluorophenyl)methylsulfanyl]-3-pyridinyl]sulfonyl]morpholine
CID 60593593
4-[[6-[(2-chlorophenyl)methylsulfanyl]-3-pyridinyl]sulfonyl]morpholine
CID 17390596
4-[[6-[(1,3-diphenylpyrazol-4-yl)methylsulfanyl]-3-pyridinyl]sulfonyl]morpholine
CID 17427652
4-[[6-[2-(3-methylphenoxy)ethylsulfanyl]-3-pyridinyl]sulfonyl]morpholine
CID 7570076
2-[(5-morpholin-4-ylsulfonyl-2-pyridinyl)sulfanyl]-1-naphthalen-2-ylethanone
CID 38974013
4-[[6-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]-3-pyridinyl]sulfonyl]morpholine
CID 16571041
2-(3-fluorophenyl)-4-[(2-phenyl-1,3-oxazol-4-yl)methylsulfanylmethyl]-1,3-oxazole
CID 78860401
4-[[6-[[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]methylsulfanyl]-3-pyridinyl]sulfonyl]morpholine
CID 24598514
3-[[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methylsulfanyl]-1H-1,2,4-triazol-5-amine
CID 33276229
2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-5-pyrrolidin-1-ylsulfonylpyridine
CID 7594028

Frequently Asked Questions

What is the IUPAC name of 4-[[6-[[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methylsulfanyl]-3-pyridinyl]sulfonyl]morpholine?
The IUPAC name of 4-[[6-[[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methylsulfanyl]-3-pyridinyl]sulfonyl]morpholine (CID 33343698) is 4-[[6-[[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methylsulfanyl]-3-pyridinyl]sulfonyl]morpholine.
What is the SMILES notation for 4-[[6-[[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methylsulfanyl]-3-pyridinyl]sulfonyl]morpholine?
The canonical SMILES for 4-[[6-[[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methylsulfanyl]-3-pyridinyl]sulfonyl]morpholine is O=S(=O)(c1ccc(SCc2coc(-c3cccc(F)c3)n2)nc1)N1CCOCC1.
What is the InChIKey of 4-[[6-[[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methylsulfanyl]-3-pyridinyl]sulfonyl]morpholine?
The InChIKey is VNZWRCVVANMXMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN3O4S2/c20-15-3-1-2-14(10-15)19-22-16(12-27-19)13-28-18-5-4-17(11-21-18)29(24,25)23-6-8-26-9-7-23/h1-5,10-12H,6-9,13H2.
What are the key properties of 4-[[6-[[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methylsulfanyl]-3-pyridinyl]sulfonyl]morpholine?
4-[[6-[[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methylsulfanyl]-3-pyridinyl]sulfonyl]morpholine has a molecular weight of 435.50 g/mol, XLogP of 3.19, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[6-[[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methylsulfanyl]-3-pyridinyl]sulfonyl]morpholine is sourced from PubChem (CID 33343698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).