N-[4-[[3-(4-fluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridin-5-yl]sulfonyl]phenyl]acetamide

C20H18FN3O4S — CID 108780450

IUPACN-[4-[[3-(4-fluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridin-5-yl]sulfonyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)N2CCc3noc(-c4ccc(F)cc4)c3C2)cc1
InChIInChI=1S/C20H18FN3O4S/c1-13(25)22-16-6-8-17(9-7-16)29(26,27)24-11-10-19-18(12-24)20(28-23-19)14-2-4-15(21)5-3-14/h2-9H,10-12H2,1H3,(H,22,25)
InChIKeyMWTCSILUONRDKY-UHFFFAOYSA-N
MW415.45 g/mol
LogP3.19
Rot. Bonds4

About N-[4-[[3-(4-fluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridin-5-yl]sulfonyl]phenyl]acetamide

N-[4-[[3-(4-fluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridin-5-yl]sulfonyl]phenyl]acetamide (PubChem CID 108780450) has the molecular formula C20H18FN3O4S and a molecular weight of 415.45 g/mol. Its IUPAC name is N-[4-[[3-(4-fluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridin-5-yl]sulfonyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[[3-(4-fluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridin-5-yl]sulfonyl]phenyl]acetamide
PubChem CID108780450
Molecular FormulaC20H18FN3O4S
Molecular Weight415.45 g/mol
Exact Mass415.10
IUPAC NameN-[4-[[3-(4-fluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridin-5-yl]sulfonyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)N2CCc3noc(-c4ccc(F)cc4)c3C2)cc1
InChIInChI=1S/C20H18FN3O4S/c1-13(25)22-16-6-8-17(9-7-16)29(26,27)24-11-10-19-18(12-24)20(28-23-19)14-2-4-15(21)5-3-14/h2-9H,10-12H2,1H3,(H,22,25)
InChIKeyMWTCSILUONRDKY-UHFFFAOYSA-N
XLogP3.19
TPSA92.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.45
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[4-[[3-(4-fluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridin-5-yl]sulfonyl]phenyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[4-[[3-(4-fluorophenyl)-5,7-dihydro-4H-[1,2]oxazolo[3,4-c]pyridin-6-yl]sulfonyl]phenyl]acetamide
CID 108783274
6-(4-ethoxyphenyl)sulfonyl-3-(4-fluorophenyl)-5,7-dihydro-4H-[1,2]oxazolo[3,4-c]pyridine
CID 108783292
3-(4-fluorophenyl)-5-(2-methoxy-5-methylphenyl)sulfonyl-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridine
CID 108780466
2-chloro-1-[3-(4-fluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridin-5-yl]propan-1-one
CID 108727198
2-(4-fluorophenyl)-1-[3-(4-fluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridin-5-yl]ethanone
CID 108751170
N-[4-[(2-methyl-4-morpholin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)sulfonyl]phenyl]acetamide
CID 42786778
N-[4-[4-(4-fluorophenyl)piperazin-4-ium-1-yl]sulfonylphenyl]acetamide
CID 4150837
N-[4-[3-(4-fluorophenyl)sulfonylazetidin-1-yl]sulfonylphenyl]acetamide
CID 90593215
6-cyclopropylsulfonyl-3-(4-fluorophenyl)-5,7-dihydro-4H-[1,2]oxazolo[3,4-c]pyridine
CID 108783294
N-[4-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]sulfonylphenyl]acetamide
CID 2902107
N-(4-acetamidophenyl)-2-[4-(4-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]acetamide
CID 3675075
N-[4-[4-[(4-fluorophenyl)methoxyimino]piperidin-1-yl]sulfonylphenyl]acetamide
CID 26070513

Frequently Asked Questions

What is the IUPAC name of N-[4-[[3-(4-fluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridin-5-yl]sulfonyl]phenyl]acetamide?
The IUPAC name of N-[4-[[3-(4-fluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridin-5-yl]sulfonyl]phenyl]acetamide (CID 108780450) is N-[4-[[3-(4-fluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridin-5-yl]sulfonyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[[3-(4-fluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridin-5-yl]sulfonyl]phenyl]acetamide?
The canonical SMILES for N-[4-[[3-(4-fluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridin-5-yl]sulfonyl]phenyl]acetamide is CC(=O)Nc1ccc(S(=O)(=O)N2CCc3noc(-c4ccc(F)cc4)c3C2)cc1.
What is the InChIKey of N-[4-[[3-(4-fluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridin-5-yl]sulfonyl]phenyl]acetamide?
The InChIKey is MWTCSILUONRDKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FN3O4S/c1-13(25)22-16-6-8-17(9-7-16)29(26,27)24-11-10-19-18(12-24)20(28-23-19)14-2-4-15(21)5-3-14/h2-9H,10-12H2,1H3,(H,22,25).
What are the key properties of N-[4-[[3-(4-fluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridin-5-yl]sulfonyl]phenyl]acetamide?
N-[4-[[3-(4-fluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridin-5-yl]sulfonyl]phenyl]acetamide has a molecular weight of 415.45 g/mol, XLogP of 3.19, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[3-(4-fluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridin-5-yl]sulfonyl]phenyl]acetamide is sourced from PubChem (CID 108780450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).