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

C13H11F2N3O2 — CID 90537169

IUPACN-(2,5-difluorophenyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxamide
SMILESO=C(Nc1cc(F)ccc1F)c1cnn2c1OCCC2
InChIInChI=1S/C13H11F2N3O2/c14-8-2-3-10(15)11(6-8)17-12(19)9-7-16-18-4-1-5-20-13(9)18/h2-3,6-7H,1,4-5H2,(H,17,19)
InChIKeyNIZPMABEKNQTRH-UHFFFAOYSA-N
MW279.25 g/mol
LogP2.20
Rot. Bonds2

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

N-(2,5-difluorophenyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxamide (PubChem CID 90537169) has the molecular formula C13H11F2N3O2 and a molecular weight of 279.25 g/mol. Its IUPAC name is N-(2,5-difluorophenyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxamide.

Molecular Properties

Compound NameN-(2,5-difluorophenyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxamide
PubChem CID90537169
Molecular FormulaC13H11F2N3O2
Molecular Weight279.25 g/mol
Exact Mass279.08
IUPAC NameN-(2,5-difluorophenyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxamide
SMILESO=C(Nc1cc(F)ccc1F)c1cnn2c1OCCC2
InChIInChI=1S/C13H11F2N3O2/c14-8-2-3-10(15)11(6-8)17-12(19)9-7-16-18-4-1-5-20-13(9)18/h2-3,6-7H,1,4-5H2,(H,17,19)
InChIKeyNIZPMABEKNQTRH-UHFFFAOYSA-N
XLogP2.20
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.25
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(2,5-difluorophenyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(4-hydroxyphenyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxamide
CID 90537133
N-(4-methylsulfanylphenyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxamide
CID 90536986
N-[4-(dimethylamino)phenyl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxamide
CID 90537142
3-[(4-fluorosulfonyloxyphenyl)carbamoyl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine
CID 154872188
N-(3-cyanophenyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxamide
CID 90537265
N-(2,5-difluorophenyl)-1-ethyl-5-methylpyrazole-4-carboxamide
CID 1225270
N-[4-(tetrazol-1-yl)phenyl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxamide
CID 71789417
N-(2,5-difluorophenyl)-2,3,4-trifluorobenzamide
CID 28560277
N-(2,2-dimethyl-6-morpholin-4-yl-3H-1-benzofuran-5-yl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxamide
CID 142501256
N-(2,5-difluorophenyl)-2,3-dihydro-1,4-dioxine-5-carboxamide
CID 18170505
2-chloro-N-(2,5-difluorophenyl)-4-fluorobenzamide
CID 26361023
2-bromo-N-(2,5-difluorophenyl)-4-fluorobenzamide
CID 24710516

Frequently Asked Questions

What is the IUPAC name of N-(2,5-difluorophenyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxamide?
The IUPAC name of N-(2,5-difluorophenyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxamide (CID 90537169) is N-(2,5-difluorophenyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxamide.
What is the SMILES notation for N-(2,5-difluorophenyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxamide?
The canonical SMILES for N-(2,5-difluorophenyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxamide is O=C(Nc1cc(F)ccc1F)c1cnn2c1OCCC2.
What is the InChIKey of N-(2,5-difluorophenyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxamide?
The InChIKey is NIZPMABEKNQTRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11F2N3O2/c14-8-2-3-10(15)11(6-8)17-12(19)9-7-16-18-4-1-5-20-13(9)18/h2-3,6-7H,1,4-5H2,(H,17,19).
What are the key properties of N-(2,5-difluorophenyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxamide?
N-(2,5-difluorophenyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxamide has a molecular weight of 279.25 g/mol, XLogP of 2.20, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-difluorophenyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxamide is sourced from PubChem (CID 90537169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).