N-(3,4-dimethoxyphenyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxamide

C15H17N3O4 — CID 90537178

IUPACN-(3,4-dimethoxyphenyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxamide
SMILESCOc1ccc(NC(=O)c2cnn3c2OCCC3)cc1OC
InChIInChI=1S/C15H17N3O4/c1-20-12-5-4-10(8-13(12)21-2)17-14(19)11-9-16-18-6-3-7-22-15(11)18/h4-5,8-9H,3,6-7H2,1-2H3,(H,17,19)
InChIKeyWVLDSYUPZCXANT-UHFFFAOYSA-N
MW303.32 g/mol
LogP1.94
Rot. Bonds4

About N-(3,4-dimethoxyphenyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxamide

N-(3,4-dimethoxyphenyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxamide (PubChem CID 90537178) has the molecular formula C15H17N3O4 and a molecular weight of 303.32 g/mol. Its IUPAC name is N-(3,4-dimethoxyphenyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxamide.

Molecular Properties

Compound NameN-(3,4-dimethoxyphenyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxamide
PubChem CID90537178
Molecular FormulaC15H17N3O4
Molecular Weight303.32 g/mol
Exact Mass303.12
IUPAC NameN-(3,4-dimethoxyphenyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxamide
SMILESCOc1ccc(NC(=O)c2cnn3c2OCCC3)cc1OC
InChIInChI=1S/C15H17N3O4/c1-20-12-5-4-10(8-13(12)21-2)17-14(19)11-9-16-18-6-3-7-22-15(11)18/h4-5,8-9H,3,6-7H2,1-2H3,(H,17,19)
InChIKeyWVLDSYUPZCXANT-UHFFFAOYSA-N
XLogP1.94
TPSA74.61 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.32
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-hydroxyphenyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxamide
CID 90537133
N-(3,5-dimethylphenyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxamide
CID 90537177
N-[4-(dimethylamino)phenyl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxamide
CID 90537142
N-(4-methylsulfanylphenyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxamide
CID 90536986
3-[(4-fluorosulfonyloxyphenyl)carbamoyl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine
CID 154872188
N-(4-methylsulfonylphenyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxamide
CID 71789497
N-(1H-indazol-6-yl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxamide
CID 71789493
N-(methoxymethyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxamide
CID 66942371
N-[2-(4-methoxyphenyl)ethyl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxamide
CID 90537094
N-(3,4-dimethoxyphenyl)-2,3-dihydro-1,4-oxathiine-6-carboxamide
CID 45106361
2-(azepan-1-yl)-N-(3,4-dimethoxyphenyl)pyrimidine-5-carboxamide
CID 109265005
N-(3,4-dimethoxyphenyl)-2,4-dihydroxybenzamide
CID 103606001

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethoxyphenyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxamide?
The IUPAC name of N-(3,4-dimethoxyphenyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxamide (CID 90537178) is N-(3,4-dimethoxyphenyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxamide.
What is the SMILES notation for N-(3,4-dimethoxyphenyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxamide?
The canonical SMILES for N-(3,4-dimethoxyphenyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxamide is COc1ccc(NC(=O)c2cnn3c2OCCC3)cc1OC.
What is the InChIKey of N-(3,4-dimethoxyphenyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxamide?
The InChIKey is WVLDSYUPZCXANT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O4/c1-20-12-5-4-10(8-13(12)21-2)17-14(19)11-9-16-18-6-3-7-22-15(11)18/h4-5,8-9H,3,6-7H2,1-2H3,(H,17,19).
What are the key properties of N-(3,4-dimethoxyphenyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxamide?
N-(3,4-dimethoxyphenyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxamide has a molecular weight of 303.32 g/mol, XLogP of 1.94, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethoxyphenyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxamide is sourced from PubChem (CID 90537178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).