N-deuterio-2-(2-fluorophenyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxamide

C13H12FN3O2 — CID 175869935

IUPACN-deuterio-2-(2-fluorophenyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxamide
SMILES[2H]NC(=O)c1c(-c2ccccc2F)nn2c1OCCC2
InChIInChI=1S/C13H12FN3O2/c14-9-5-2-1-4-8(9)11-10(12(15)18)13-17(16-11)6-3-7-19-13/h1-2,4-5H,3,6-7H2,(H2,15,18)/i/hD
InChIKeyCVDFQPGNAXEWLO-DYCDLGHISA-N
MW262.26 g/mol
LogP1.57
Rot. Bonds2

About N-deuterio-2-(2-fluorophenyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxamide

N-deuterio-2-(2-fluorophenyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxamide (PubChem CID 175869935) has the molecular formula C13H12FN3O2 and a molecular weight of 262.26 g/mol. Its IUPAC name is N-deuterio-2-(2-fluorophenyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxamide.

Molecular Properties

Compound NameN-deuterio-2-(2-fluorophenyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxamide
PubChem CID175869935
Molecular FormulaC13H12FN3O2
Molecular Weight262.26 g/mol
Exact Mass262.10
IUPAC NameN-deuterio-2-(2-fluorophenyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxamide
SMILES[2H]NC(=O)c1c(-c2ccccc2F)nn2c1OCCC2
InChIInChI=1S/C13H12FN3O2/c14-9-5-2-1-4-8(9)11-10(12(15)18)13-17(16-11)6-3-7-19-13/h1-2,4-5H,3,6-7H2,(H2,15,18)/i/hD
InChIKeyCVDFQPGNAXEWLO-DYCDLGHISA-N
XLogP1.57
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.26
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

benzyl 2-(4-cyano-2-fluorophenyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxylate
CID 166939622
2-[4-[(dimethylamino)methyl]-2-fluorophenyl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxylic acid
CID 166939086
2-(2-fluorophenyl)-N-[(3S)-2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl]-5,6,7,8-tetrahydropyrazolo[5,1-b][1,3]oxazepine-3-carboxamide
CID 167529071
2-(2-fluorophenyl)-5-(hydroxymethyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxylic acid
CID 166939900
ethyl 2-[2-fluoro-6-(propan-2-ylamino)-3-pyridinyl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxylate
CID 166939978
ethyl 2-(2-fluorophenyl)-5-(pyrrolidin-1-ylmethyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxylate
CID 166939061
3-bromo-2-(2-fluorophenyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazole
CID 67438227
(8S)-2-(2-fluorophenyl)-3,8-dimethyl-5,6,7,8-tetrahydropyrazolo[5,1-b][1,3]oxazepine
CID 166937090
2-(2-fluorophenyl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine-3-carbaldehyde
CID 170977724
N-[4-[2-(2,4-difluorophenyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl]-2-pyridinyl]-2-methylpropanamide
CID 135220702
3-chloro-N-(2-phenylethyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide
CID 91959652
[5-amino-3-(2-fluorophenyl)-1,2-oxazol-4-yl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone
CID 70981942

Frequently Asked Questions

What is the IUPAC name of N-deuterio-2-(2-fluorophenyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxamide?
The IUPAC name of N-deuterio-2-(2-fluorophenyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxamide (CID 175869935) is N-deuterio-2-(2-fluorophenyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxamide.
What is the SMILES notation for N-deuterio-2-(2-fluorophenyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxamide?
The canonical SMILES for N-deuterio-2-(2-fluorophenyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxamide is [2H]NC(=O)c1c(-c2ccccc2F)nn2c1OCCC2.
What is the InChIKey of N-deuterio-2-(2-fluorophenyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxamide?
The InChIKey is CVDFQPGNAXEWLO-DYCDLGHISA-N. The full InChI is InChI=1S/C13H12FN3O2/c14-9-5-2-1-4-8(9)11-10(12(15)18)13-17(16-11)6-3-7-19-13/h1-2,4-5H,3,6-7H2,(H2,15,18)/i/hD.
What are the key properties of N-deuterio-2-(2-fluorophenyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxamide?
N-deuterio-2-(2-fluorophenyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxamide has a molecular weight of 262.26 g/mol, XLogP of 1.57, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-deuterio-2-(2-fluorophenyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxamide is sourced from PubChem (CID 175869935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).