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

C14H12N4O2 — CID 90537265

IUPACN-(3-cyanophenyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxamide
SMILESN#Cc1cccc(NC(=O)c2cnn3c2OCCC3)c1
InChIInChI=1S/C14H12N4O2/c15-8-10-3-1-4-11(7-10)17-13(19)12-9-16-18-5-2-6-20-14(12)18/h1,3-4,7,9H,2,5-6H2,(H,17,19)
InChIKeyOXUDNDOFULZIJC-UHFFFAOYSA-N
MW268.28 g/mol
LogP1.79
Rot. Bonds2

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

N-(3-cyanophenyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxamide (PubChem CID 90537265) has the molecular formula C14H12N4O2 and a molecular weight of 268.28 g/mol. Its IUPAC name is N-(3-cyanophenyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxamide.

Molecular Properties

Compound NameN-(3-cyanophenyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxamide
PubChem CID90537265
Molecular FormulaC14H12N4O2
Molecular Weight268.28 g/mol
Exact Mass268.10
IUPAC NameN-(3-cyanophenyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxamide
SMILESN#Cc1cccc(NC(=O)c2cnn3c2OCCC3)c1
InChIInChI=1S/C14H12N4O2/c15-8-10-3-1-4-11(7-10)17-13(19)12-9-16-18-5-2-6-20-14(12)18/h1,3-4,7,9H,2,5-6H2,(H,17,19)
InChIKeyOXUDNDOFULZIJC-UHFFFAOYSA-N
XLogP1.79
TPSA79.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.28
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-nitrophenyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxamide
CID 90537125
N-(2,5-difluorophenyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxamide
CID 90537169
N-(3-cyanophenyl)-5-[4-(cyclobutylmethyl)phenyl]-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-3-carboxamide
CID 170713231
N-(4-methyl-1,3-benzothiazol-2-yl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxamide
CID 90537215
N-(3-cyanophenyl)-2,6-dimethylpyridine-3-carboxamide
CID 47300067
5-[4-[4-(1-aminocyclopentyl)phenyl]phenyl]-N-(3-cyanophenyl)-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-3-carboxamide
CID 170712773
N-(3-cyanophenyl)-5-[4-(1,1-difluoropropyl)phenyl]-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-3-carboxamide
CID 170712893
5-(azepan-1-yl)-N-(3-cyanophenyl)pyrazine-2-carboxamide
CID 109289409
2-chloro-N-(3-cyanophenyl)-3-fluorobenzamide
CID 79035948
N-(3-cyanophenyl)-6-oxo-1H-pyrimidine-5-carboxamide
CID 110864862
N-(3-cyanophenyl)pyridine-4-carboxamide
CID 734714
N-(3-cyanophenyl)-5-ethyl-1-(4-methylphenyl)pyrazole-4-carboxamide
CID 46586204

Frequently Asked Questions

What is the IUPAC name of N-(3-cyanophenyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxamide?
The IUPAC name of N-(3-cyanophenyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxamide (CID 90537265) is N-(3-cyanophenyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxamide.
What is the SMILES notation for N-(3-cyanophenyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxamide?
The canonical SMILES for N-(3-cyanophenyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxamide is N#Cc1cccc(NC(=O)c2cnn3c2OCCC3)c1.
What is the InChIKey of N-(3-cyanophenyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxamide?
The InChIKey is OXUDNDOFULZIJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N4O2/c15-8-10-3-1-4-11(7-10)17-13(19)12-9-16-18-5-2-6-20-14(12)18/h1,3-4,7,9H,2,5-6H2,(H,17,19).
What are the key properties of N-(3-cyanophenyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxamide?
N-(3-cyanophenyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxamide has a molecular weight of 268.28 g/mol, XLogP of 1.79, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyanophenyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxamide is sourced from PubChem (CID 90537265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).