(5R)-3-[4-(1,1-dioxothian-4-yl)-3,5-difluorophenyl]-5-[(5-methyltetrazol-2-yl)methyl]-1,3-oxazolidin-2-one

C17H19F2N5O4S — CID 10342463

IUPAC(5R)-3-[4-(1,1-dioxothian-4-yl)-3,5-difluorophenyl]-5-[(5-methyltetrazol-2-yl)methyl]-1,3-oxazolidin-2-one
SMILESCc1nnn(C[C@H]2CN(c3cc(F)c(C4CCS(=O)(=O)CC4)c(F)c3)C(=O)O2)n1
InChIInChI=1S/C17H19F2N5O4S/c1-10-20-22-24(21-10)9-13-8-23(17(25)28-13)12-6-14(18)16(15(19)7-12)11-2-4-29(26,27)5-3-11/h6-7,11,13H,2-5,8-9H2,1H3/t13-/m1/s1
InChIKeyHGGWKXLFIQVDLJ-CYBMUJFWSA-N
MW427.43 g/mol
LogP1.58
Rot. Bonds4

About (5R)-3-[4-(1,1-dioxothian-4-yl)-3,5-difluorophenyl]-5-[(5-methyltetrazol-2-yl)methyl]-1,3-oxazolidin-2-one

(5R)-3-[4-(1,1-dioxothian-4-yl)-3,5-difluorophenyl]-5-[(5-methyltetrazol-2-yl)methyl]-1,3-oxazolidin-2-one (PubChem CID 10342463) has the molecular formula C17H19F2N5O4S and a molecular weight of 427.43 g/mol. Its IUPAC name is (5R)-3-[4-(1,1-dioxothian-4-yl)-3,5-difluorophenyl]-5-[(5-methyltetrazol-2-yl)methyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(5R)-3-[4-(1,1-dioxothian-4-yl)-3,5-difluorophenyl]-5-[(5-methyltetrazol-2-yl)methyl]-1,3-oxazolidin-2-one
PubChem CID10342463
Molecular FormulaC17H19F2N5O4S
Molecular Weight427.43 g/mol
Exact Mass427.11
IUPAC Name(5R)-3-[4-(1,1-dioxothian-4-yl)-3,5-difluorophenyl]-5-[(5-methyltetrazol-2-yl)methyl]-1,3-oxazolidin-2-one
SMILESCc1nnn(C[C@H]2CN(c3cc(F)c(C4CCS(=O)(=O)CC4)c(F)c3)C(=O)O2)n1
InChIInChI=1S/C17H19F2N5O4S/c1-10-20-22-24(21-10)9-13-8-23(17(25)28-13)12-6-14(18)16(15(19)7-12)11-2-4-29(26,27)5-3-11/h6-7,11,13H,2-5,8-9H2,1H3/t13-/m1/s1
InChIKeyHGGWKXLFIQVDLJ-CYBMUJFWSA-N
XLogP1.58
TPSA107.28 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.43
LogP ≤ 51.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze (5R)-3-[4-(1,1-dioxothian-4-yl)-3,5-difluorophenyl]-5-[(5-methyltetrazol-2-yl)methyl]-1,3-oxazolidin-2-one with MolForge

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Related Compounds

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
(5S)-5-(aminomethyl)-3-[4-(1,1-dioxothian-4-yl)-3,5-difluorophenyl]-1,3-oxazolidin-2-one;N-[[(5S)-3-[4-(1,1-dioxothian-4-yl)-3,5-difluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]-2,2-difluoroethanethioamide
CID 160722195
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
(5R)-5-[(4,5-dimethyl-4,5-dihydrotriazol-1-yl)methyl]-3-[4-(1,1-dioxothian-4-yl)-3-fluorophenyl]-1,3-oxazolidin-2-one
CID 142276602
(5S)-3-[3,5-difluoro-4-(4-fluoro-1,1-dioxothian-4-yl)phenyl]-5-ethyl-1,3-oxazolidin-2-one
CID 163420465
N-[[3-[4-(1,1-dioxothian-4-yl)-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 18613632
(5R)-5-(aminomethyl)-3-[4-(1,1-dioxo-1,4-thiazinan-4-yl)-3,5-difluorophenyl]-1,3-oxazolidin-2-one
CID 68878196
(5R)-3-[3,5-difluoro-4-(4-hydroxy-1,1-dioxothian-4-yl)phenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one
CID 155004550
methyl N-[[(5S)-3-[4-(1,1-dioxothian-4-yl)-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]carbamate
CID 91487728
N-[[3-[3-fluoro-4-[4-[(5-methyltetrazol-2-yl)methyl]phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 22274143
N-[[3-[4-(1,1-dioxo-3,4-dihydro-2H-thiopyran-4-yl)-3,5-difluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 20777118
(5R)-3-(3-fluoro-4-methylphenyl)-5-[[4-(fluoromethyl)triazol-1-yl]methyl]-1,3-oxazolidin-2-one
CID 148664215

Frequently Asked Questions

What is the IUPAC name of (5R)-3-[4-(1,1-dioxothian-4-yl)-3,5-difluorophenyl]-5-[(5-methyltetrazol-2-yl)methyl]-1,3-oxazolidin-2-one?
The IUPAC name of (5R)-3-[4-(1,1-dioxothian-4-yl)-3,5-difluorophenyl]-5-[(5-methyltetrazol-2-yl)methyl]-1,3-oxazolidin-2-one (CID 10342463) is (5R)-3-[4-(1,1-dioxothian-4-yl)-3,5-difluorophenyl]-5-[(5-methyltetrazol-2-yl)methyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for (5R)-3-[4-(1,1-dioxothian-4-yl)-3,5-difluorophenyl]-5-[(5-methyltetrazol-2-yl)methyl]-1,3-oxazolidin-2-one?
The canonical SMILES for (5R)-3-[4-(1,1-dioxothian-4-yl)-3,5-difluorophenyl]-5-[(5-methyltetrazol-2-yl)methyl]-1,3-oxazolidin-2-one is Cc1nnn(C[C@H]2CN(c3cc(F)c(C4CCS(=O)(=O)CC4)c(F)c3)C(=O)O2)n1.
What is the InChIKey of (5R)-3-[4-(1,1-dioxothian-4-yl)-3,5-difluorophenyl]-5-[(5-methyltetrazol-2-yl)methyl]-1,3-oxazolidin-2-one?
The InChIKey is HGGWKXLFIQVDLJ-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H19F2N5O4S/c1-10-20-22-24(21-10)9-13-8-23(17(25)28-13)12-6-14(18)16(15(19)7-12)11-2-4-29(26,27)5-3-11/h6-7,11,13H,2-5,8-9H2,1H3/t13-/m1/s1.
What are the key properties of (5R)-3-[4-(1,1-dioxothian-4-yl)-3,5-difluorophenyl]-5-[(5-methyltetrazol-2-yl)methyl]-1,3-oxazolidin-2-one?
(5R)-3-[4-(1,1-dioxothian-4-yl)-3,5-difluorophenyl]-5-[(5-methyltetrazol-2-yl)methyl]-1,3-oxazolidin-2-one has a molecular weight of 427.43 g/mol, XLogP of 1.58, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-3-[4-(1,1-dioxothian-4-yl)-3,5-difluorophenyl]-5-[(5-methyltetrazol-2-yl)methyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 10342463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).