cis-[(5R)-2-oxo-1,3-oxazolidin-5-yl]methyl (1R,2S)-2-(2,5-difluorophenyl)cyclopropane-1-carboxylate

C14H13F2NO4 — CID 100698595

IUPACcis-[(5R)-2-oxo-1,3-oxazolidin-5-yl]methyl (1R,2S)-2-(2,5-difluorophenyl)cyclopropane-1-carboxylate
SMILESO=C1NC[C@H](COC(=O)[C@@H]2C[C@@H]2c2cc(F)ccc2F)O1
InChIInChI=1S/C14H13F2NO4/c15-7-1-2-12(16)10(3-7)9-4-11(9)13(18)20-6-8-5-17-14(19)21-8/h1-3,8-9,11H,4-6H2,(H,17,19)/t8-,9-,11-/m1/s1
InChIKeyAIHFIGSYXWYWQS-FXPVBKGRSA-N
MW297.26 g/mol
LogP1.72
Rot. Bonds4

About cis-[(5R)-2-oxo-1,3-oxazolidin-5-yl]methyl (1R,2S)-2-(2,5-difluorophenyl)cyclopropane-1-carboxylate

cis-[(5R)-2-oxo-1,3-oxazolidin-5-yl]methyl (1R,2S)-2-(2,5-difluorophenyl)cyclopropane-1-carboxylate (PubChem CID 100698595) has the molecular formula C14H13F2NO4 and a molecular weight of 297.26 g/mol. Its IUPAC name is cis-[(5R)-2-oxo-1,3-oxazolidin-5-yl]methyl (1R,2S)-2-(2,5-difluorophenyl)cyclopropane-1-carboxylate.

Molecular Properties

Compound Namecis-[(5R)-2-oxo-1,3-oxazolidin-5-yl]methyl (1R,2S)-2-(2,5-difluorophenyl)cyclopropane-1-carboxylate
PubChem CID100698595
Molecular FormulaC14H13F2NO4
Molecular Weight297.26 g/mol
Exact Mass297.08
IUPAC Namecis-[(5R)-2-oxo-1,3-oxazolidin-5-yl]methyl (1R,2S)-2-(2,5-difluorophenyl)cyclopropane-1-carboxylate
SMILESO=C1NC[C@H](COC(=O)[C@@H]2C[C@@H]2c2cc(F)ccc2F)O1
InChIInChI=1S/C14H13F2NO4/c15-7-1-2-12(16)10(3-7)9-4-11(9)13(18)20-6-8-5-17-14(19)21-8/h1-3,8-9,11H,4-6H2,(H,17,19)/t8-,9-,11-/m1/s1
InChIKeyAIHFIGSYXWYWQS-FXPVBKGRSA-N
XLogP1.72
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.26
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of cis-[(5R)-2-oxo-1,3-oxazolidin-5-yl]methyl (1R,2S)-2-(2,5-difluorophenyl)cyclopropane-1-carboxylate?
The IUPAC name of cis-[(5R)-2-oxo-1,3-oxazolidin-5-yl]methyl (1R,2S)-2-(2,5-difluorophenyl)cyclopropane-1-carboxylate (CID 100698595) is cis-[(5R)-2-oxo-1,3-oxazolidin-5-yl]methyl (1R,2S)-2-(2,5-difluorophenyl)cyclopropane-1-carboxylate.
What is the SMILES notation for cis-[(5R)-2-oxo-1,3-oxazolidin-5-yl]methyl (1R,2S)-2-(2,5-difluorophenyl)cyclopropane-1-carboxylate?
The canonical SMILES for cis-[(5R)-2-oxo-1,3-oxazolidin-5-yl]methyl (1R,2S)-2-(2,5-difluorophenyl)cyclopropane-1-carboxylate is O=C1NC[C@H](COC(=O)[C@@H]2C[C@@H]2c2cc(F)ccc2F)O1.
What is the InChIKey of cis-[(5R)-2-oxo-1,3-oxazolidin-5-yl]methyl (1R,2S)-2-(2,5-difluorophenyl)cyclopropane-1-carboxylate?
The InChIKey is AIHFIGSYXWYWQS-FXPVBKGRSA-N. The full InChI is InChI=1S/C14H13F2NO4/c15-7-1-2-12(16)10(3-7)9-4-11(9)13(18)20-6-8-5-17-14(19)21-8/h1-3,8-9,11H,4-6H2,(H,17,19)/t8-,9-,11-/m1/s1.
What are the key properties of cis-[(5R)-2-oxo-1,3-oxazolidin-5-yl]methyl (1R,2S)-2-(2,5-difluorophenyl)cyclopropane-1-carboxylate?
cis-[(5R)-2-oxo-1,3-oxazolidin-5-yl]methyl (1R,2S)-2-(2,5-difluorophenyl)cyclopropane-1-carboxylate has a molecular weight of 297.26 g/mol, XLogP of 1.72, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cis-[(5R)-2-oxo-1,3-oxazolidin-5-yl]methyl (1R,2S)-2-(2,5-difluorophenyl)cyclopropane-1-carboxylate is sourced from PubChem (CID 100698595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).