N-[[3-[3-fluoro-4-[(1S,2R)-1-oxothian-2-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]cyclopropanecarboxamide

C19H23FN2O4S — CID 54193082

IUPACN-[[3-[3-fluoro-4-[(1S,2R)-1-oxothian-2-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]cyclopropanecarboxamide
SMILESO=C(NCC1CN(c2ccc([C@H]3CCCC[S@@]3=O)c(F)c2)C(=O)O1)C1CC1
InChIInChI=1S/C19H23FN2O4S/c20-16-9-13(6-7-15(16)17-3-1-2-8-27(17)25)22-11-14(26-19(22)24)10-21-18(23)12-4-5-12/h6-7,9,12,14,17H,1-5,8,10-11H2,(H,21,23)/t14?,17-,27+/m1/s1
InChIKeyPJWBNDDMEIVUCZ-PJBGHUTASA-N
MW394.47 g/mol
LogP2.65
Rot. Bonds5

About N-[[3-[3-fluoro-4-[(1S,2R)-1-oxothian-2-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]cyclopropanecarboxamide

N-[[3-[3-fluoro-4-[(1S,2R)-1-oxothian-2-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]cyclopropanecarboxamide (PubChem CID 54193082) has the molecular formula C19H23FN2O4S and a molecular weight of 394.47 g/mol. Its IUPAC name is N-[[3-[3-fluoro-4-[(1S,2R)-1-oxothian-2-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[[3-[3-fluoro-4-[(1S,2R)-1-oxothian-2-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]cyclopropanecarboxamide
PubChem CID54193082
Molecular FormulaC19H23FN2O4S
Molecular Weight394.47 g/mol
Exact Mass394.14
IUPAC NameN-[[3-[3-fluoro-4-[(1S,2R)-1-oxothian-2-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]cyclopropanecarboxamide
SMILESO=C(NCC1CN(c2ccc([C@H]3CCCC[S@@]3=O)c(F)c2)C(=O)O1)C1CC1
InChIInChI=1S/C19H23FN2O4S/c20-16-9-13(6-7-15(16)17-3-1-2-8-27(17)25)22-11-14(26-19(22)24)10-21-18(23)12-4-5-12/h6-7,9,12,14,17H,1-5,8,10-11H2,(H,21,23)/t14?,17-,27+/m1/s1
InChIKeyPJWBNDDMEIVUCZ-PJBGHUTASA-N
XLogP2.65
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.47
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[3-[3-fluoro-4-(1-oxothian-4-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]propanamide
CID 20671340
N-[[2-oxo-3-[3-(trifluoromethyl)phenyl]-1,3-oxazolidin-5-yl]methyl]cyclopropanecarboxamide
CID 110328375
N-[[(5S)-3-[4-(6,6-dioxo-1,3,3a,4,5,7,8,8a-octahydrothiepino[4,5-c]pyrrol-2-yl)-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]cyclopropanecarboxamide
CID 155319489
N-[[3-[3-fluoro-4-[(2S)-thian-2-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 90913950
N-[[3-[3-fluoro-4-(oxan-4-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 22625716
N-[[3-[4-(1,1-dioxothian-4-yl)-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 18613632
N-[[(5S)-3-[3-fluoro-4-[(1R,3S)-3-hydroxy-4-oxocyclohexyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 59994588
N-[[(5S)-3-[4-(6,6-dioxo-1,3,3a,4,5,7,8,8a-octahydrothiepino[4,5-c]pyrrol-2-yl)-3,5-difluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]cyclopropanecarboxamide
CID 155725049
N-[[(5S)-3-[3-fluoro-4-[(1R)-4-hydroxy-3-oxocyclohexyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 91299786
N-[[3-[3,5-difluoro-4-(2-oxa-6-azaspiro[3.3]heptan-6-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]cyclobutanecarboxamide
CID 135148500
N-[[(5S)-3-[3,5-difluoro-4-(2-thia-6-azaspiro[3.3]heptan-6-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]cyclobutanecarboxamide
CID 126496070
N-[[3-[3-fluoro-4-(oxazepan-4-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 70342294

Frequently Asked Questions

What is the IUPAC name of N-[[3-[3-fluoro-4-[(1S,2R)-1-oxothian-2-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]cyclopropanecarboxamide?
The IUPAC name of N-[[3-[3-fluoro-4-[(1S,2R)-1-oxothian-2-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]cyclopropanecarboxamide (CID 54193082) is N-[[3-[3-fluoro-4-[(1S,2R)-1-oxothian-2-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[[3-[3-fluoro-4-[(1S,2R)-1-oxothian-2-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]cyclopropanecarboxamide?
The canonical SMILES for N-[[3-[3-fluoro-4-[(1S,2R)-1-oxothian-2-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]cyclopropanecarboxamide is O=C(NCC1CN(c2ccc([C@H]3CCCC[S@@]3=O)c(F)c2)C(=O)O1)C1CC1.
What is the InChIKey of N-[[3-[3-fluoro-4-[(1S,2R)-1-oxothian-2-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]cyclopropanecarboxamide?
The InChIKey is PJWBNDDMEIVUCZ-PJBGHUTASA-N. The full InChI is InChI=1S/C19H23FN2O4S/c20-16-9-13(6-7-15(16)17-3-1-2-8-27(17)25)22-11-14(26-19(22)24)10-21-18(23)12-4-5-12/h6-7,9,12,14,17H,1-5,8,10-11H2,(H,21,23)/t14?,17-,27+/m1/s1.
What are the key properties of N-[[3-[3-fluoro-4-[(1S,2R)-1-oxothian-2-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]cyclopropanecarboxamide?
N-[[3-[3-fluoro-4-[(1S,2R)-1-oxothian-2-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]cyclopropanecarboxamide has a molecular weight of 394.47 g/mol, XLogP of 2.65, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[3-fluoro-4-[(1S,2R)-1-oxothian-2-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]cyclopropanecarboxamide is sourced from PubChem (CID 54193082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).