5-[(5-cyclopropyltetrazol-2-yl)methyl]-3-[4-(1,1-dioxo-3,6-dihydro-2H-thiopyran-4-yl)-3,5-difluorophenyl]-1,3-oxazolidin-2-one

C19H19F2N5O4S — CID 18447000

IUPAC5-[(5-cyclopropyltetrazol-2-yl)methyl]-3-[4-(1,1-dioxo-3,6-dihydro-2H-thiopyran-4-yl)-3,5-difluorophenyl]-1,3-oxazolidin-2-one
SMILESO=C1OC(Cn2nnc(C3CC3)n2)CN1c1cc(F)c(C2=CCS(=O)(=O)CC2)c(F)c1
InChIInChI=1S/C19H19F2N5O4S/c20-15-7-13(8-16(21)17(15)11-3-5-31(28,29)6-4-11)25-9-14(30-19(25)27)10-26-23-18(22-24-26)12-1-2-12/h3,7-8,12,14H,1-2,4-6,9-10H2
InChIKeyOUABVSYMEKVKKI-UHFFFAOYSA-N
MW451.46 g/mol
LogP2.06
Rot. Bonds5

About 5-[(5-cyclopropyltetrazol-2-yl)methyl]-3-[4-(1,1-dioxo-3,6-dihydro-2H-thiopyran-4-yl)-3,5-difluorophenyl]-1,3-oxazolidin-2-one

5-[(5-cyclopropyltetrazol-2-yl)methyl]-3-[4-(1,1-dioxo-3,6-dihydro-2H-thiopyran-4-yl)-3,5-difluorophenyl]-1,3-oxazolidin-2-one (PubChem CID 18447000) has the molecular formula C19H19F2N5O4S and a molecular weight of 451.46 g/mol. Its IUPAC name is 5-[(5-cyclopropyltetrazol-2-yl)methyl]-3-[4-(1,1-dioxo-3,6-dihydro-2H-thiopyran-4-yl)-3,5-difluorophenyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name5-[(5-cyclopropyltetrazol-2-yl)methyl]-3-[4-(1,1-dioxo-3,6-dihydro-2H-thiopyran-4-yl)-3,5-difluorophenyl]-1,3-oxazolidin-2-one
PubChem CID18447000
Molecular FormulaC19H19F2N5O4S
Molecular Weight451.46 g/mol
Exact Mass451.11
IUPAC Name5-[(5-cyclopropyltetrazol-2-yl)methyl]-3-[4-(1,1-dioxo-3,6-dihydro-2H-thiopyran-4-yl)-3,5-difluorophenyl]-1,3-oxazolidin-2-one
SMILESO=C1OC(Cn2nnc(C3CC3)n2)CN1c1cc(F)c(C2=CCS(=O)(=O)CC2)c(F)c1
InChIInChI=1S/C19H19F2N5O4S/c20-15-7-13(8-16(21)17(15)11-3-5-31(28,29)6-4-11)25-9-14(30-19(25)27)10-26-23-18(22-24-26)12-1-2-12/h3,7-8,12,14H,1-2,4-6,9-10H2
InChIKeyOUABVSYMEKVKKI-UHFFFAOYSA-N
XLogP2.06
TPSA107.28 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.46
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 5-[(5-cyclopropyltetrazol-2-yl)methyl]-3-[4-(1,1-dioxo-3,6-dihydro-2H-thiopyran-4-yl)-3,5-difluorophenyl]-1,3-oxazolidin-2-one with MolForge

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Related Compounds

2-[[(5R)-3-[4-(1,1-dioxo-3,6-dihydro-2H-thiopyran-4-yl)-3,5-difluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]tetrazole-5-carbothialdehyde
CID 18447017
3-[4-(1,1-dioxo-3,6-dihydro-2H-thiopyran-4-yl)-3,5-difluorophenyl]-5-[(4-ethynyltriazol-1-yl)methyl]-1,3-oxazolidin-2-one
CID 18447012
2-[1-[[(5R)-3-[4-(1,1-dioxo-3,6-dihydro-2H-thiopyran-4-yl)-3,5-difluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]triazol-4-yl]acetonitrile
CID 10151536
(5R)-3-[4-(1,1-dioxothian-4-yl)-3,5-difluorophenyl]-5-[(5-methyltetrazol-2-yl)methyl]-1,3-oxazolidin-2-one
CID 10342463
5-[[4-(bromomethyl)triazol-1-yl]methyl]-3-[4-(1,1-dioxo-3,6-dihydro-2H-thiopyran-4-yl)-3-fluorophenyl]-1,3-oxazolidin-2-one
CID 18447033
(5R)-5-[[4-(bromomethyl)triazol-1-yl]methyl]-3-[4-(1,1-dioxo-3,6-dihydro-2H-thiopyran-4-yl)-3-fluorophenyl]-1,3-oxazolidin-2-one
CID 10288930
5-(aminomethyl)-3-[4-(1,1-dioxo-3,6-dihydro-2H-thiopyran-4-yl)-3-fluorophenyl]-1,3-oxazolidin-2-one;methanamine
CID 142276629
3-[4-(1,1-dioxo-3,6-dihydro-2H-thiopyran-4-yl)-3-fluorophenyl]-5-[[4-(methylsulfonylmethyl)triazol-1-yl]methyl]-1,3-oxazolidin-2-one
CID 18447048
[amino-[[1-[[(5R)-3-[4-(1,1-dioxo-3,6-dihydro-2H-thiopyran-4-yl)-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]triazol-4-yl]methylsulfanyl]methylidene]azanium
CID 58840979
N-[1-[[(5R)-3-[4-(1,1-dioxo-3,6-dihydro-2H-thiopyran-4-yl)-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]triazol-4-yl]acetamide
CID 10216968
[1-[[(5R)-3-[4-(1,1-dioxo-3,6-dihydro-2H-thiopyran-4-yl)-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]triazol-4-yl]methyl diphenyl phosphate
CID 10312499
N-[4-[2,6-difluoro-4-[(5S)-5-[(1,2-oxazol-3-ylamino)methyl]-2-oxo-1,3-oxazolidin-3-yl]phenyl]-1-oxo-3,6-dihydro-2H-thiopyran-1-ylidene]-2-hydroxyacetamide
CID 10206165

Frequently Asked Questions

What is the IUPAC name of 5-[(5-cyclopropyltetrazol-2-yl)methyl]-3-[4-(1,1-dioxo-3,6-dihydro-2H-thiopyran-4-yl)-3,5-difluorophenyl]-1,3-oxazolidin-2-one?
The IUPAC name of 5-[(5-cyclopropyltetrazol-2-yl)methyl]-3-[4-(1,1-dioxo-3,6-dihydro-2H-thiopyran-4-yl)-3,5-difluorophenyl]-1,3-oxazolidin-2-one (CID 18447000) is 5-[(5-cyclopropyltetrazol-2-yl)methyl]-3-[4-(1,1-dioxo-3,6-dihydro-2H-thiopyran-4-yl)-3,5-difluorophenyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 5-[(5-cyclopropyltetrazol-2-yl)methyl]-3-[4-(1,1-dioxo-3,6-dihydro-2H-thiopyran-4-yl)-3,5-difluorophenyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 5-[(5-cyclopropyltetrazol-2-yl)methyl]-3-[4-(1,1-dioxo-3,6-dihydro-2H-thiopyran-4-yl)-3,5-difluorophenyl]-1,3-oxazolidin-2-one is O=C1OC(Cn2nnc(C3CC3)n2)CN1c1cc(F)c(C2=CCS(=O)(=O)CC2)c(F)c1.
What is the InChIKey of 5-[(5-cyclopropyltetrazol-2-yl)methyl]-3-[4-(1,1-dioxo-3,6-dihydro-2H-thiopyran-4-yl)-3,5-difluorophenyl]-1,3-oxazolidin-2-one?
The InChIKey is OUABVSYMEKVKKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F2N5O4S/c20-15-7-13(8-16(21)17(15)11-3-5-31(28,29)6-4-11)25-9-14(30-19(25)27)10-26-23-18(22-24-26)12-1-2-12/h3,7-8,12,14H,1-2,4-6,9-10H2.
What are the key properties of 5-[(5-cyclopropyltetrazol-2-yl)methyl]-3-[4-(1,1-dioxo-3,6-dihydro-2H-thiopyran-4-yl)-3,5-difluorophenyl]-1,3-oxazolidin-2-one?
5-[(5-cyclopropyltetrazol-2-yl)methyl]-3-[4-(1,1-dioxo-3,6-dihydro-2H-thiopyran-4-yl)-3,5-difluorophenyl]-1,3-oxazolidin-2-one has a molecular weight of 451.46 g/mol, XLogP of 2.06, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(5-cyclopropyltetrazol-2-yl)methyl]-3-[4-(1,1-dioxo-3,6-dihydro-2H-thiopyran-4-yl)-3,5-difluorophenyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 18447000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).