(5R)-3-(10-fluoro-3-methoxy-4,5-dihydro-1H-[1]benzoxepino[4,5-d]pyrazol-8-yl)-N-methyl-2-oxo-1,3-oxazolidine-5-carboxamide

C17H17FN4O5 — CID 58746231

IUPAC(5R)-3-(10-fluoro-3-methoxy-4,5-dihydro-1H-[1]benzoxepino[4,5-d]pyrazol-8-yl)-N-methyl-2-oxo-1,3-oxazolidine-5-carboxamide
SMILESCNC(=O)[C@H]1CN(c2cc(F)c3c(c2)OCCc2c(OC)n[nH]c2-3)C(=O)O1
InChIInChI=1S/C17H17FN4O5/c1-19-15(23)12-7-22(17(24)27-12)8-5-10(18)13-11(6-8)26-4-3-9-14(13)20-21-16(9)25-2/h5-6,12H,3-4,7H2,1-2H3,(H,19,23)(H,20,21)/t12-/m1/s1
InChIKeyZHPTXLMCDAYLOQ-GFCCVEGCSA-N
MW376.34 g/mol
LogP1.23
Rot. Bonds3

About (5R)-3-(10-fluoro-3-methoxy-4,5-dihydro-1H-[1]benzoxepino[4,5-d]pyrazol-8-yl)-N-methyl-2-oxo-1,3-oxazolidine-5-carboxamide

(5R)-3-(10-fluoro-3-methoxy-4,5-dihydro-1H-[1]benzoxepino[4,5-d]pyrazol-8-yl)-N-methyl-2-oxo-1,3-oxazolidine-5-carboxamide (PubChem CID 58746231) has the molecular formula C17H17FN4O5 and a molecular weight of 376.34 g/mol. Its IUPAC name is (5R)-3-(10-fluoro-3-methoxy-4,5-dihydro-1H-[1]benzoxepino[4,5-d]pyrazol-8-yl)-N-methyl-2-oxo-1,3-oxazolidine-5-carboxamide.

Molecular Properties

Compound Name(5R)-3-(10-fluoro-3-methoxy-4,5-dihydro-1H-[1]benzoxepino[4,5-d]pyrazol-8-yl)-N-methyl-2-oxo-1,3-oxazolidine-5-carboxamide
PubChem CID58746231
Molecular FormulaC17H17FN4O5
Molecular Weight376.34 g/mol
Exact Mass376.12
IUPAC Name(5R)-3-(10-fluoro-3-methoxy-4,5-dihydro-1H-[1]benzoxepino[4,5-d]pyrazol-8-yl)-N-methyl-2-oxo-1,3-oxazolidine-5-carboxamide
SMILESCNC(=O)[C@H]1CN(c2cc(F)c3c(c2)OCCc2c(OC)n[nH]c2-3)C(=O)O1
InChIInChI=1S/C17H17FN4O5/c1-19-15(23)12-7-22(17(24)27-12)8-5-10(18)13-11(6-8)26-4-3-9-14(13)20-21-16(9)25-2/h5-6,12H,3-4,7H2,1-2H3,(H,19,23)(H,20,21)/t12-/m1/s1
InChIKeyZHPTXLMCDAYLOQ-GFCCVEGCSA-N
XLogP1.23
TPSA105.78 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.34
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze (5R)-3-(10-fluoro-3-methoxy-4,5-dihydro-1H-[1]benzoxepino[4,5-d]pyrazol-8-yl)-N-methyl-2-oxo-1,3-oxazolidine-5-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of (5R)-3-(10-fluoro-3-methoxy-4,5-dihydro-1H-[1]benzoxepino[4,5-d]pyrazol-8-yl)-N-methyl-2-oxo-1,3-oxazolidine-5-carboxamide?
The IUPAC name of (5R)-3-(10-fluoro-3-methoxy-4,5-dihydro-1H-[1]benzoxepino[4,5-d]pyrazol-8-yl)-N-methyl-2-oxo-1,3-oxazolidine-5-carboxamide (CID 58746231) is (5R)-3-(10-fluoro-3-methoxy-4,5-dihydro-1H-[1]benzoxepino[4,5-d]pyrazol-8-yl)-N-methyl-2-oxo-1,3-oxazolidine-5-carboxamide.
What is the SMILES notation for (5R)-3-(10-fluoro-3-methoxy-4,5-dihydro-1H-[1]benzoxepino[4,5-d]pyrazol-8-yl)-N-methyl-2-oxo-1,3-oxazolidine-5-carboxamide?
The canonical SMILES for (5R)-3-(10-fluoro-3-methoxy-4,5-dihydro-1H-[1]benzoxepino[4,5-d]pyrazol-8-yl)-N-methyl-2-oxo-1,3-oxazolidine-5-carboxamide is CNC(=O)[C@H]1CN(c2cc(F)c3c(c2)OCCc2c(OC)n[nH]c2-3)C(=O)O1.
What is the InChIKey of (5R)-3-(10-fluoro-3-methoxy-4,5-dihydro-1H-[1]benzoxepino[4,5-d]pyrazol-8-yl)-N-methyl-2-oxo-1,3-oxazolidine-5-carboxamide?
The InChIKey is ZHPTXLMCDAYLOQ-GFCCVEGCSA-N. The full InChI is InChI=1S/C17H17FN4O5/c1-19-15(23)12-7-22(17(24)27-12)8-5-10(18)13-11(6-8)26-4-3-9-14(13)20-21-16(9)25-2/h5-6,12H,3-4,7H2,1-2H3,(H,19,23)(H,20,21)/t12-/m1/s1.
What are the key properties of (5R)-3-(10-fluoro-3-methoxy-4,5-dihydro-1H-[1]benzoxepino[4,5-d]pyrazol-8-yl)-N-methyl-2-oxo-1,3-oxazolidine-5-carboxamide?
(5R)-3-(10-fluoro-3-methoxy-4,5-dihydro-1H-[1]benzoxepino[4,5-d]pyrazol-8-yl)-N-methyl-2-oxo-1,3-oxazolidine-5-carboxamide has a molecular weight of 376.34 g/mol, XLogP of 1.23, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-3-(10-fluoro-3-methoxy-4,5-dihydro-1H-[1]benzoxepino[4,5-d]pyrazol-8-yl)-N-methyl-2-oxo-1,3-oxazolidine-5-carboxamide is sourced from PubChem (CID 58746231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).