(5R)-3-(7-fluoro-3-methoxy-4,5-dihydro-1H-[1]benzoxepino[4,5-d]pyrazol-8-yl)-2-oxo-1,3-oxazolidine-5-carboxamide

C16H15FN4O5 — CID 58746240

IUPAC(5R)-3-(7-fluoro-3-methoxy-4,5-dihydro-1H-[1]benzoxepino[4,5-d]pyrazol-8-yl)-2-oxo-1,3-oxazolidine-5-carboxamide
SMILESCOc1n[nH]c2c1CCOc1c-2ccc(N2C[C@H](C(N)=O)OC2=O)c1F
InChIInChI=1S/C16H15FN4O5/c1-24-15-8-4-5-25-13-7(12(8)19-20-15)2-3-9(11(13)17)21-6-10(14(18)22)26-16(21)23/h2-3,10H,4-6H2,1H3,(H2,18,22)(H,19,20)/t10-/m1/s1
InChIKeyNDLUYBQYXNEFGJ-SNVBAGLBSA-N
MW362.32 g/mol
LogP0.97
Rot. Bonds3

About (5R)-3-(7-fluoro-3-methoxy-4,5-dihydro-1H-[1]benzoxepino[4,5-d]pyrazol-8-yl)-2-oxo-1,3-oxazolidine-5-carboxamide

(5R)-3-(7-fluoro-3-methoxy-4,5-dihydro-1H-[1]benzoxepino[4,5-d]pyrazol-8-yl)-2-oxo-1,3-oxazolidine-5-carboxamide (PubChem CID 58746240) has the molecular formula C16H15FN4O5 and a molecular weight of 362.32 g/mol. Its IUPAC name is (5R)-3-(7-fluoro-3-methoxy-4,5-dihydro-1H-[1]benzoxepino[4,5-d]pyrazol-8-yl)-2-oxo-1,3-oxazolidine-5-carboxamide.

Molecular Properties

Compound Name(5R)-3-(7-fluoro-3-methoxy-4,5-dihydro-1H-[1]benzoxepino[4,5-d]pyrazol-8-yl)-2-oxo-1,3-oxazolidine-5-carboxamide
PubChem CID58746240
Molecular FormulaC16H15FN4O5
Molecular Weight362.32 g/mol
Exact Mass362.10
IUPAC Name(5R)-3-(7-fluoro-3-methoxy-4,5-dihydro-1H-[1]benzoxepino[4,5-d]pyrazol-8-yl)-2-oxo-1,3-oxazolidine-5-carboxamide
SMILESCOc1n[nH]c2c1CCOc1c-2ccc(N2C[C@H](C(N)=O)OC2=O)c1F
InChIInChI=1S/C16H15FN4O5/c1-24-15-8-4-5-25-13-7(12(8)19-20-15)2-3-9(11(13)17)21-6-10(14(18)22)26-16(21)23/h2-3,10H,4-6H2,1H3,(H2,18,22)(H,19,20)/t10-/m1/s1
InChIKeyNDLUYBQYXNEFGJ-SNVBAGLBSA-N
XLogP0.97
TPSA119.77 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.32
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze (5R)-3-(7-fluoro-3-methoxy-4,5-dihydro-1H-[1]benzoxepino[4,5-d]pyrazol-8-yl)-2-oxo-1,3-oxazolidine-5-carboxamide with MolForge

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Related Compounds

N-[[(5S)-3-[3-(4-fluorophenyl)-4,5-dihydro-1H-[1]benzoxepino[4,5-d]pyrazol-8-yl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 10478163
(5R)-3-[7-fluoro-3-(methylamino)-4,5-dihydro-1H-[1]benzoxepino[4,5-d]pyrazol-8-yl]-2-oxo-1,3-oxazolidine-5-carboxamide
CID 58746227
(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
(5R)-3-[10-fluoro-3-(methylamino)-4,5-dihydro-1H-[1]benzoxepino[4,5-d]pyrazol-8-yl]-N-methyl-2-oxo-1,3-oxazolidine-5-carboxamide
CID 58746315
(5R)-3-(14-fluoro-5-methoxy-3,4-diazatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),4,11,13-pentaen-12-yl)-N-methyl-2-oxo-1,3-oxazolidine-5-carboxamide
CID 58746319
(5R)-3-(11-fluoro-5-methoxy-3,4-diazatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),4,11,13-pentaen-12-yl)-2-oxo-1,3-oxazolidine-5-carboxamide
CID 58746325
(5R)-3-(3-ethyl-7-fluoro-4,5-dihydro-2H-[1]benzoxepino[5,4-c]pyrazol-8-yl)-2-oxo-1,3-oxazolidine-5-carboxamide
CID 58746341
(5R)-3-(14-fluoro-5-methoxy-3,4-diazatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),4,11,13-pentaen-12-yl)-2-oxo-1,3-oxazolidine-5-carboxamide
CID 58746382
(5R)-3-(3-ethyl-10-fluoro-4,5-dihydro-2H-[1]benzoxepino[5,4-c]pyrazol-8-yl)-N-methyl-2-oxo-1,3-oxazolidine-5-carboxamide
CID 68490577
(5R)-3-[3-(4,5-dihydro-1,2-oxazol-5-yl)-7-fluoro-4,5-dihydro-2H-[1]benzoxepino[5,4-c]pyrazol-8-yl]-2-oxo-1,3-oxazolidine-5-carboxamide
CID 89106042
N-[[(5S)-2-oxo-3-[1-(2,2,2-trifluoroethyl)-4,10-dihydro-[1]benzoxepino[3,4-d]pyrazol-7-yl]-1,3-oxazolidin-5-yl]methyl]acetamide
CID 10002449
(S)-N-[3-(4,5-Dihydro-1H-6-oxa-1,2-diaza-benzo[e]azulen-8-yl)-2-oxo-oxazolidin-5-ylmethyl]-acetamide
CID 9997466

Frequently Asked Questions

What is the IUPAC name of (5R)-3-(7-fluoro-3-methoxy-4,5-dihydro-1H-[1]benzoxepino[4,5-d]pyrazol-8-yl)-2-oxo-1,3-oxazolidine-5-carboxamide?
The IUPAC name of (5R)-3-(7-fluoro-3-methoxy-4,5-dihydro-1H-[1]benzoxepino[4,5-d]pyrazol-8-yl)-2-oxo-1,3-oxazolidine-5-carboxamide (CID 58746240) is (5R)-3-(7-fluoro-3-methoxy-4,5-dihydro-1H-[1]benzoxepino[4,5-d]pyrazol-8-yl)-2-oxo-1,3-oxazolidine-5-carboxamide.
What is the SMILES notation for (5R)-3-(7-fluoro-3-methoxy-4,5-dihydro-1H-[1]benzoxepino[4,5-d]pyrazol-8-yl)-2-oxo-1,3-oxazolidine-5-carboxamide?
The canonical SMILES for (5R)-3-(7-fluoro-3-methoxy-4,5-dihydro-1H-[1]benzoxepino[4,5-d]pyrazol-8-yl)-2-oxo-1,3-oxazolidine-5-carboxamide is COc1n[nH]c2c1CCOc1c-2ccc(N2C[C@H](C(N)=O)OC2=O)c1F.
What is the InChIKey of (5R)-3-(7-fluoro-3-methoxy-4,5-dihydro-1H-[1]benzoxepino[4,5-d]pyrazol-8-yl)-2-oxo-1,3-oxazolidine-5-carboxamide?
The InChIKey is NDLUYBQYXNEFGJ-SNVBAGLBSA-N. The full InChI is InChI=1S/C16H15FN4O5/c1-24-15-8-4-5-25-13-7(12(8)19-20-15)2-3-9(11(13)17)21-6-10(14(18)22)26-16(21)23/h2-3,10H,4-6H2,1H3,(H2,18,22)(H,19,20)/t10-/m1/s1.
What are the key properties of (5R)-3-(7-fluoro-3-methoxy-4,5-dihydro-1H-[1]benzoxepino[4,5-d]pyrazol-8-yl)-2-oxo-1,3-oxazolidine-5-carboxamide?
(5R)-3-(7-fluoro-3-methoxy-4,5-dihydro-1H-[1]benzoxepino[4,5-d]pyrazol-8-yl)-2-oxo-1,3-oxazolidine-5-carboxamide has a molecular weight of 362.32 g/mol, XLogP of 0.97, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-3-(7-fluoro-3-methoxy-4,5-dihydro-1H-[1]benzoxepino[4,5-d]pyrazol-8-yl)-2-oxo-1,3-oxazolidine-5-carboxamide is sourced from PubChem (CID 58746240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).