methyl 3-[2,6-difluoro-4-[(5R)-5-(methylcarbamoyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl]-3-methylazetidine-1-carboxylate

C17H19F2N3O5 — CID 10287278

IUPACmethyl 3-[2,6-difluoro-4-[(5R)-5-(methylcarbamoyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl]-3-methylazetidine-1-carboxylate
SMILESCNC(=O)[C@H]1CN(c2cc(F)c(C3(C)CN(C(=O)OC)C3)c(F)c2)C(=O)O1
InChIInChI=1S/C17H19F2N3O5/c1-17(7-21(8-17)15(24)26-3)13-10(18)4-9(5-11(13)19)22-6-12(14(23)20-2)27-16(22)25/h4-5,12H,6-8H2,1-3H3,(H,20,23)/t12-/m1/s1
InChIKeyIWURKKQULNDEEN-GFCCVEGCSA-N
MW383.35 g/mol
LogP1.38
Rot. Bonds3

About methyl 3-[2,6-difluoro-4-[(5R)-5-(methylcarbamoyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl]-3-methylazetidine-1-carboxylate

methyl 3-[2,6-difluoro-4-[(5R)-5-(methylcarbamoyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl]-3-methylazetidine-1-carboxylate (PubChem CID 10287278) has the molecular formula C17H19F2N3O5 and a molecular weight of 383.35 g/mol. Its IUPAC name is methyl 3-[2,6-difluoro-4-[(5R)-5-(methylcarbamoyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl]-3-methylazetidine-1-carboxylate.

Molecular Properties

Compound Namemethyl 3-[2,6-difluoro-4-[(5R)-5-(methylcarbamoyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl]-3-methylazetidine-1-carboxylate
PubChem CID10287278
Molecular FormulaC17H19F2N3O5
Molecular Weight383.35 g/mol
Exact Mass383.13
IUPAC Namemethyl 3-[2,6-difluoro-4-[(5R)-5-(methylcarbamoyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl]-3-methylazetidine-1-carboxylate
SMILESCNC(=O)[C@H]1CN(c2cc(F)c(C3(C)CN(C(=O)OC)C3)c(F)c2)C(=O)O1
InChIInChI=1S/C17H19F2N3O5/c1-17(7-21(8-17)15(24)26-3)13-10(18)4-9(5-11(13)19)22-6-12(14(23)20-2)27-16(22)25/h4-5,12H,6-8H2,1-3H3,(H,20,23)/t12-/m1/s1
InChIKeyIWURKKQULNDEEN-GFCCVEGCSA-N
XLogP1.38
TPSA88.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.35
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 3-[2,6-difluoro-4-[(5R)-5-(methylcarbamoyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl]-3-methylazetidine-1-carboxylate with MolForge

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Related Compounds

(5R)-3-(3,5-difluoro-4-morpholin-4-ylphenyl)-N-methyl-2-oxo-1,3-oxazolidine-5-carboxamide
CID 10215354
(5R)-3-(4-cyclohexyl-3-fluorophenyl)-N-methyl-2-oxo-1,3-oxazolidine-5-carboxamide
CID 58746248
(5R)-3-[(2E)-4-fluoro-2-methoxyimino-3-(2,2,2-trifluoroethyl)-1,3-benzoxazol-6-yl]-N-methyl-2-oxo-1,3-oxazolidine-5-carboxamide
CID 87470609
(5R)-3-(2,2-difluoro-4-methyl-3-oxo-1,4-benzoxazin-7-yl)-N-methyl-2-oxo-1,3-oxazolidine-5-carboxamide
CID 10308812
benzyl 3-[4-[5-(aminomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-3-methylazetidine-1-carboxylate
CID 22625694
(5R)-3-[4-(1-cyano-3,6-dihydro-2H-pyridin-4-yl)-3-fluorophenyl]-N-methyl-2-oxo-1,3-oxazolidine-5-carboxamide
CID 87470731
(5R)-N-butyl-3-(3,5-difluoro-4-morpholin-4-ylphenyl)-2-oxo-1,3-oxazolidine-5-carboxamide
CID 142669422
methyl 3-[3,5-difluoro-4-(thiazepan-4-yl)phenyl]-2-oxo-1,3-oxazolidine-5-carboxylate
CID 69467235
(5R)-3-[1-(2-fluoroethyl)-2-oxo-3H-indol-5-yl]-N-methyl-2-oxo-1,3-oxazolidine-5-carboxamide
CID 58599566
N-methyl-3-(1-methyl-2-oxo-4,5-dihydro-3,1-benzoxazepin-7-yl)-2-oxo-1,3-oxazolidine-5-carboxamide
CID 74082458
N-methyl-2-oxo-3-(1-propan-2-ylindazol-5-yl)-1,3-oxazolidine-5-carboxamide
CID 69414159
methyl 1-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-3-azabicyclo[3.1.0]hexane-3-carboxylate
CID 67509762

Frequently Asked Questions

What is the IUPAC name of methyl 3-[2,6-difluoro-4-[(5R)-5-(methylcarbamoyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl]-3-methylazetidine-1-carboxylate?
The IUPAC name of methyl 3-[2,6-difluoro-4-[(5R)-5-(methylcarbamoyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl]-3-methylazetidine-1-carboxylate (CID 10287278) is methyl 3-[2,6-difluoro-4-[(5R)-5-(methylcarbamoyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl]-3-methylazetidine-1-carboxylate.
What is the SMILES notation for methyl 3-[2,6-difluoro-4-[(5R)-5-(methylcarbamoyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl]-3-methylazetidine-1-carboxylate?
The canonical SMILES for methyl 3-[2,6-difluoro-4-[(5R)-5-(methylcarbamoyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl]-3-methylazetidine-1-carboxylate is CNC(=O)[C@H]1CN(c2cc(F)c(C3(C)CN(C(=O)OC)C3)c(F)c2)C(=O)O1.
What is the InChIKey of methyl 3-[2,6-difluoro-4-[(5R)-5-(methylcarbamoyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl]-3-methylazetidine-1-carboxylate?
The InChIKey is IWURKKQULNDEEN-GFCCVEGCSA-N. The full InChI is InChI=1S/C17H19F2N3O5/c1-17(7-21(8-17)15(24)26-3)13-10(18)4-9(5-11(13)19)22-6-12(14(23)20-2)27-16(22)25/h4-5,12H,6-8H2,1-3H3,(H,20,23)/t12-/m1/s1.
What are the key properties of methyl 3-[2,6-difluoro-4-[(5R)-5-(methylcarbamoyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl]-3-methylazetidine-1-carboxylate?
methyl 3-[2,6-difluoro-4-[(5R)-5-(methylcarbamoyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl]-3-methylazetidine-1-carboxylate has a molecular weight of 383.35 g/mol, XLogP of 1.38, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[2,6-difluoro-4-[(5R)-5-(methylcarbamoyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl]-3-methylazetidine-1-carboxylate is sourced from PubChem (CID 10287278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).