[5-(2,5-dichlorophenyl)sulfonyl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-3-yl] N-[(2,4-difluorophenyl)methyl]carbamate

C20H15Cl2F2N3O5S — CID 69476512

IUPAC[5-(2,5-dichlorophenyl)sulfonyl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-3-yl] N-[(2,4-difluorophenyl)methyl]carbamate
SMILESO=C(NCc1ccc(F)cc1F)Oc1noc2c1CN(S(=O)(=O)c1cc(Cl)ccc1Cl)CC2
InChIInChI=1S/C20H15Cl2F2N3O5S/c21-12-2-4-15(22)18(7-12)33(29,30)27-6-5-17-14(10-27)19(26-32-17)31-20(28)25-9-11-1-3-13(23)8-16(11)24/h1-4,7-8H,5-6,9-10H2,(H,25,28)
InChIKeyKPASFYHGJCVDEP-UHFFFAOYSA-N
MW518.33 g/mol
LogP4.30
Rot. Bonds5

About [5-(2,5-dichlorophenyl)sulfonyl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-3-yl] N-[(2,4-difluorophenyl)methyl]carbamate

[5-(2,5-dichlorophenyl)sulfonyl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-3-yl] N-[(2,4-difluorophenyl)methyl]carbamate (PubChem CID 69476512) has the molecular formula C20H15Cl2F2N3O5S and a molecular weight of 518.33 g/mol. Its IUPAC name is [5-(2,5-dichlorophenyl)sulfonyl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-3-yl] N-[(2,4-difluorophenyl)methyl]carbamate.

Molecular Properties

Compound Name[5-(2,5-dichlorophenyl)sulfonyl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-3-yl] N-[(2,4-difluorophenyl)methyl]carbamate
PubChem CID69476512
Molecular FormulaC20H15Cl2F2N3O5S
Molecular Weight518.33 g/mol
Exact Mass517.01
IUPAC Name[5-(2,5-dichlorophenyl)sulfonyl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-3-yl] N-[(2,4-difluorophenyl)methyl]carbamate
SMILESO=C(NCc1ccc(F)cc1F)Oc1noc2c1CN(S(=O)(=O)c1cc(Cl)ccc1Cl)CC2
InChIInChI=1S/C20H15Cl2F2N3O5S/c21-12-2-4-15(22)18(7-12)33(29,30)27-6-5-17-14(10-27)19(26-32-17)31-20(28)25-9-11-1-3-13(23)8-16(11)24/h1-4,7-8H,5-6,9-10H2,(H,25,28)
InChIKeyKPASFYHGJCVDEP-UHFFFAOYSA-N
XLogP4.30
TPSA101.74 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500518.33
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [5-(2,5-dichlorophenyl)sulfonyl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-3-yl] N-[(2,4-difluorophenyl)methyl]carbamate with MolForge

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Related Compounds

[5-(benzenesulfonyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-3-yl] N-[2-(3,4-dichlorophenyl)ethyl]carbamate
CID 90884518
[5-(3-chlorophenyl)sulfonyl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-3-yl] hydrogen carbonate
CID 69480463
2-[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-ium-1-yl]-1-(4-fluorophenyl)ethanone
CID 5079371
[5-(4-methylphenyl)sulfonyl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-3-yl] hydrogen carbonate
CID 90798490
[8-(2,5-dichlorophenyl)sulfonyl-1-oxa-2,8-diazaspiro[4.5]dec-2-en-3-yl] N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]carbamate
CID 87987988
5-(2-chloro-4-fluorophenyl)sulfonyl-2-(methoxymethyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine
CID 169414199
2,5-dichloro-N-(2,4-difluorophenyl)benzenesulfonamide
CID 3702583
[2-(2,4-difluoroanilino)-2-oxoethyl] 4-chloro-3-pyrrolidin-1-ylsulfonylbenzoate
CID 2513870
2-(4-chloro-2-pyrrolidin-1-ylsulfonylphenoxy)-N-[(4-fluorophenyl)methyl]acetamide
CID 92647820
N-[(2,4-difluorophenyl)methyl]-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carboxamide
CID 44591915
2-(2-chloro-4-fluorophenyl)-N-[(4-chloro-2-fluorophenyl)methyl]acetamide
CID 166226023
7-(2,5-dichlorophenyl)sulfonyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine
CID 69267948

Frequently Asked Questions

What is the IUPAC name of [5-(2,5-dichlorophenyl)sulfonyl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-3-yl] N-[(2,4-difluorophenyl)methyl]carbamate?
The IUPAC name of [5-(2,5-dichlorophenyl)sulfonyl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-3-yl] N-[(2,4-difluorophenyl)methyl]carbamate (CID 69476512) is [5-(2,5-dichlorophenyl)sulfonyl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-3-yl] N-[(2,4-difluorophenyl)methyl]carbamate.
What is the SMILES notation for [5-(2,5-dichlorophenyl)sulfonyl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-3-yl] N-[(2,4-difluorophenyl)methyl]carbamate?
The canonical SMILES for [5-(2,5-dichlorophenyl)sulfonyl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-3-yl] N-[(2,4-difluorophenyl)methyl]carbamate is O=C(NCc1ccc(F)cc1F)Oc1noc2c1CN(S(=O)(=O)c1cc(Cl)ccc1Cl)CC2.
What is the InChIKey of [5-(2,5-dichlorophenyl)sulfonyl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-3-yl] N-[(2,4-difluorophenyl)methyl]carbamate?
The InChIKey is KPASFYHGJCVDEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15Cl2F2N3O5S/c21-12-2-4-15(22)18(7-12)33(29,30)27-6-5-17-14(10-27)19(26-32-17)31-20(28)25-9-11-1-3-13(23)8-16(11)24/h1-4,7-8H,5-6,9-10H2,(H,25,28).
What are the key properties of [5-(2,5-dichlorophenyl)sulfonyl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-3-yl] N-[(2,4-difluorophenyl)methyl]carbamate?
[5-(2,5-dichlorophenyl)sulfonyl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-3-yl] N-[(2,4-difluorophenyl)methyl]carbamate has a molecular weight of 518.33 g/mol, XLogP of 4.30, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(2,5-dichlorophenyl)sulfonyl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-3-yl] N-[(2,4-difluorophenyl)methyl]carbamate is sourced from PubChem (CID 69476512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).