6-(4-fluorophenyl)-N-(2-methoxyethyl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine-2-carboxamide

C16H18FN3O3 — CID 91894491

IUPAC6-(4-fluorophenyl)-N-(2-methoxyethyl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine-2-carboxamide
SMILESCOCCNC(=O)c1cc2n(n1)CC(c1ccc(F)cc1)OC2
InChIInChI=1S/C16H18FN3O3/c1-22-7-6-18-16(21)14-8-13-10-23-15(9-20(13)19-14)11-2-4-12(17)5-3-11/h2-5,8,15H,6-7,9-10H2,1H3,(H,18,21)
InChIKeyQQEKYYNZWGWESI-UHFFFAOYSA-N
MW319.34 g/mol
LogP1.67
Rot. Bonds5

About 6-(4-fluorophenyl)-N-(2-methoxyethyl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine-2-carboxamide

6-(4-fluorophenyl)-N-(2-methoxyethyl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine-2-carboxamide (PubChem CID 91894491) has the molecular formula C16H18FN3O3 and a molecular weight of 319.34 g/mol. Its IUPAC name is 6-(4-fluorophenyl)-N-(2-methoxyethyl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine-2-carboxamide.

Molecular Properties

Compound Name6-(4-fluorophenyl)-N-(2-methoxyethyl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine-2-carboxamide
PubChem CID91894491
Molecular FormulaC16H18FN3O3
Molecular Weight319.34 g/mol
Exact Mass319.13
IUPAC Name6-(4-fluorophenyl)-N-(2-methoxyethyl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine-2-carboxamide
SMILESCOCCNC(=O)c1cc2n(n1)CC(c1ccc(F)cc1)OC2
InChIInChI=1S/C16H18FN3O3/c1-22-7-6-18-16(21)14-8-13-10-23-15(9-20(13)19-14)11-2-4-12(17)5-3-11/h2-5,8,15H,6-7,9-10H2,1H3,(H,18,21)
InChIKeyQQEKYYNZWGWESI-UHFFFAOYSA-N
XLogP1.67
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.34
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-6-(4-fluorophenyl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine-2-carboxamide
CID 91894496
(6S)-N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-6-(4-fluorophenyl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine-2-carboxamide
CID 125127965
(6R)-N-(4-acetamidophenyl)-6-(4-fluorophenyl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine-2-carboxamide
CID 125126579
(6R)-N-(3-fluorophenyl)-6-(4-fluorophenyl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine-2-carboxamide
CID 125127012
6-(4-chlorophenyl)-N-[(2-fluorophenyl)methyl]-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine-2-carboxamide
CID 91889816
6-(4-chlorophenyl)-N-ethyl-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine-2-carboxamide
CID 91889794
(6S)-N-[(3-chloro-4-fluorophenyl)methyl]-6-(4-chlorophenyl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine-2-carboxamide
CID 99753891
(6S)-N-benzyl-6-(4-chlorophenyl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine-2-carboxamide
CID 99744913
6-(4-chlorophenyl)-N-[(4-ethylphenyl)methyl]-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine-2-carboxamide
CID 91889807
(6R)-6-(4-bromophenyl)-N-(2-chloro-5-fluorophenyl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine-2-carboxamide
CID 99745076
6-(4-bromophenyl)-N-(2-chloro-5-fluorophenyl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine-2-carboxamide
CID 91889768
(6S)-6-(4-chlorophenyl)-N-cyclopropyl-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine-2-carboxamide
CID 99738797

Frequently Asked Questions

What is the IUPAC name of 6-(4-fluorophenyl)-N-(2-methoxyethyl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine-2-carboxamide?
The IUPAC name of 6-(4-fluorophenyl)-N-(2-methoxyethyl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine-2-carboxamide (CID 91894491) is 6-(4-fluorophenyl)-N-(2-methoxyethyl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine-2-carboxamide.
What is the SMILES notation for 6-(4-fluorophenyl)-N-(2-methoxyethyl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine-2-carboxamide?
The canonical SMILES for 6-(4-fluorophenyl)-N-(2-methoxyethyl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine-2-carboxamide is COCCNC(=O)c1cc2n(n1)CC(c1ccc(F)cc1)OC2.
What is the InChIKey of 6-(4-fluorophenyl)-N-(2-methoxyethyl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine-2-carboxamide?
The InChIKey is QQEKYYNZWGWESI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FN3O3/c1-22-7-6-18-16(21)14-8-13-10-23-15(9-20(13)19-14)11-2-4-12(17)5-3-11/h2-5,8,15H,6-7,9-10H2,1H3,(H,18,21).
What are the key properties of 6-(4-fluorophenyl)-N-(2-methoxyethyl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine-2-carboxamide?
6-(4-fluorophenyl)-N-(2-methoxyethyl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine-2-carboxamide has a molecular weight of 319.34 g/mol, XLogP of 1.67, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-fluorophenyl)-N-(2-methoxyethyl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine-2-carboxamide is sourced from PubChem (CID 91894491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).