N-(3-chloro-4-fluorophenyl)-6-(4-chlorophenyl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine-2-carboxamide

C19H14Cl2FN3O2 — CID 91889751

IUPACN-(3-chloro-4-fluorophenyl)-6-(4-chlorophenyl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine-2-carboxamide
SMILESO=C(Nc1ccc(F)c(Cl)c1)c1cc2n(n1)CC(c1ccc(Cl)cc1)OC2
InChIInChI=1S/C19H14Cl2FN3O2/c20-12-3-1-11(2-4-12)18-9-25-14(10-27-18)8-17(24-25)19(26)23-13-5-6-16(22)15(21)7-13/h1-8,18H,9-10H2,(H,23,26)
InChIKeyOKJVYJACEHVXAV-UHFFFAOYSA-N
MW406.24 g/mol
LogP4.85
Rot. Bonds3

About N-(3-chloro-4-fluorophenyl)-6-(4-chlorophenyl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine-2-carboxamide

N-(3-chloro-4-fluorophenyl)-6-(4-chlorophenyl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine-2-carboxamide (PubChem CID 91889751) has the molecular formula C19H14Cl2FN3O2 and a molecular weight of 406.24 g/mol. Its IUPAC name is N-(3-chloro-4-fluorophenyl)-6-(4-chlorophenyl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine-2-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-4-fluorophenyl)-6-(4-chlorophenyl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine-2-carboxamide
PubChem CID91889751
Molecular FormulaC19H14Cl2FN3O2
Molecular Weight406.24 g/mol
Exact Mass405.04
IUPAC NameN-(3-chloro-4-fluorophenyl)-6-(4-chlorophenyl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine-2-carboxamide
SMILESO=C(Nc1ccc(F)c(Cl)c1)c1cc2n(n1)CC(c1ccc(Cl)cc1)OC2
InChIInChI=1S/C19H14Cl2FN3O2/c20-12-3-1-11(2-4-12)18-9-25-14(10-27-18)8-17(24-25)19(26)23-13-5-6-16(22)15(21)7-13/h1-8,18H,9-10H2,(H,23,26)
InChIKeyOKJVYJACEHVXAV-UHFFFAOYSA-N
XLogP4.85
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.24
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-(4-Chlorophenyl)-N-(4-fluoro-2-methylphenyl)-4H,6H,7H-pyrazolo[3,2-C][1,4]oxazine-2-carboxamide
CID 91889753
3-(3-chlorophenyl)-1-methyl-N-[4-[(2S)-morpholin-2-yl]phenyl]pyrazole-5-carboxamide
CID 71087841
US11072607, Example #5
CID 134607442
6-(4-Chlorophenyl)-N-(3,4-difluorophenyl)-4H,6H,7H-pyrazolo[3,2-C][1,4]oxazine-2-carboxamide
CID 91889748
[6-(4-chlorophenyl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-2-yl][4-(4-fluorophenyl)piperazino]methanone
CID 91889706
6-(4-Chlorophenyl)-N-(3-fluorophenyl)-4H,6H,7H-pyrazolo[3,2-C][1,4]oxazine-2-carboxamide
CID 91889747
6-(4-Chlorophenyl)-N-(3-fluoro-4-methylphenyl)-4H,6H,7H-pyrazolo[3,2-C][1,4]oxazine-2-carboxamide
CID 91889752
6-(4-Bromophenyl)-N-(3-fluorophenyl)-4H,6H,7H-pyrazolo[3,2-C][1,4]oxazine-2-carboxamide
CID 91889765
6-(4-Bromophenyl)-N-(4-fluorophenyl)-4H,6H,7H-pyrazolo[3,2-C][1,4]oxazine-2-carboxamide
CID 91889766
6-(4-Bromophenyl)-N-(3,4-difluorophenyl)-4H,6H,7H-pyrazolo[3,2-C][1,4]oxazine-2-carboxamide
CID 91889767
6-(4-Bromophenyl)-N-(2-chloro-5-fluorophenyl)-4H,6H,7H-pyrazolo[3,2-C][1,4]oxazine-2-carboxamide
CID 91889768
N-[(3-Chloro-4-fluorophenyl)methyl]-6-(4-chlorophenyl)-4H,6H,7H-pyrazolo[3,2-C][1,4]oxazine-2-carboxamide
CID 91889820

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-fluorophenyl)-6-(4-chlorophenyl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine-2-carboxamide?
The IUPAC name of N-(3-chloro-4-fluorophenyl)-6-(4-chlorophenyl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine-2-carboxamide (CID 91889751) is N-(3-chloro-4-fluorophenyl)-6-(4-chlorophenyl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine-2-carboxamide.
What is the SMILES notation for N-(3-chloro-4-fluorophenyl)-6-(4-chlorophenyl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine-2-carboxamide?
The canonical SMILES for N-(3-chloro-4-fluorophenyl)-6-(4-chlorophenyl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine-2-carboxamide is O=C(Nc1ccc(F)c(Cl)c1)c1cc2n(n1)CC(c1ccc(Cl)cc1)OC2.
What is the InChIKey of N-(3-chloro-4-fluorophenyl)-6-(4-chlorophenyl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine-2-carboxamide?
The InChIKey is OKJVYJACEHVXAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14Cl2FN3O2/c20-12-3-1-11(2-4-12)18-9-25-14(10-27-18)8-17(24-25)19(26)23-13-5-6-16(22)15(21)7-13/h1-8,18H,9-10H2,(H,23,26).
What are the key properties of N-(3-chloro-4-fluorophenyl)-6-(4-chlorophenyl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine-2-carboxamide?
N-(3-chloro-4-fluorophenyl)-6-(4-chlorophenyl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine-2-carboxamide has a molecular weight of 406.24 g/mol, XLogP of 4.85, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-fluorophenyl)-6-(4-chlorophenyl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine-2-carboxamide is sourced from PubChem (CID 91889751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).