6-(1,3-benzodioxol-5-yl)-N-(4-methoxyphenyl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine-2-carboxamide

C21H19N3O5 — CID 91889776

IUPAC6-(1,3-benzodioxol-5-yl)-N-(4-methoxyphenyl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine-2-carboxamide
SMILESCOc1ccc(NC(=O)c2cc3n(n2)CC(c2ccc4c(c2)OCO4)OC3)cc1
InChIInChI=1S/C21H19N3O5/c1-26-16-5-3-14(4-6-16)22-21(25)17-9-15-11-27-20(10-24(15)23-17)13-2-7-18-19(8-13)29-12-28-18/h2-9,20H,10-12H2,1H3,(H,22,25)
InChIKeyUAILRCXUQAQQIZ-UHFFFAOYSA-N
MW393.40 g/mol
LogP3.14
Rot. Bonds4

About 6-(1,3-benzodioxol-5-yl)-N-(4-methoxyphenyl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine-2-carboxamide

6-(1,3-benzodioxol-5-yl)-N-(4-methoxyphenyl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine-2-carboxamide (PubChem CID 91889776) has the molecular formula C21H19N3O5 and a molecular weight of 393.40 g/mol. Its IUPAC name is 6-(1,3-benzodioxol-5-yl)-N-(4-methoxyphenyl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine-2-carboxamide.

Molecular Properties

Compound Name6-(1,3-benzodioxol-5-yl)-N-(4-methoxyphenyl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine-2-carboxamide
PubChem CID91889776
Molecular FormulaC21H19N3O5
Molecular Weight393.40 g/mol
Exact Mass393.13
IUPAC Name6-(1,3-benzodioxol-5-yl)-N-(4-methoxyphenyl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine-2-carboxamide
SMILESCOc1ccc(NC(=O)c2cc3n(n2)CC(c2ccc4c(c2)OCO4)OC3)cc1
InChIInChI=1S/C21H19N3O5/c1-26-16-5-3-14(4-6-16)22-21(25)17-9-15-11-27-20(10-24(15)23-17)13-2-7-18-19(8-13)29-12-28-18/h2-9,20H,10-12H2,1H3,(H,22,25)
InChIKeyUAILRCXUQAQQIZ-UHFFFAOYSA-N
XLogP3.14
TPSA83.84 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.40
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-(1,3-benzodioxol-5-yl)-N-(4-methoxyphenyl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine-2-carboxamide?
The IUPAC name of 6-(1,3-benzodioxol-5-yl)-N-(4-methoxyphenyl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine-2-carboxamide (CID 91889776) is 6-(1,3-benzodioxol-5-yl)-N-(4-methoxyphenyl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine-2-carboxamide.
What is the SMILES notation for 6-(1,3-benzodioxol-5-yl)-N-(4-methoxyphenyl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine-2-carboxamide?
The canonical SMILES for 6-(1,3-benzodioxol-5-yl)-N-(4-methoxyphenyl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine-2-carboxamide is COc1ccc(NC(=O)c2cc3n(n2)CC(c2ccc4c(c2)OCO4)OC3)cc1.
What is the InChIKey of 6-(1,3-benzodioxol-5-yl)-N-(4-methoxyphenyl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine-2-carboxamide?
The InChIKey is UAILRCXUQAQQIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O5/c1-26-16-5-3-14(4-6-16)22-21(25)17-9-15-11-27-20(10-24(15)23-17)13-2-7-18-19(8-13)29-12-28-18/h2-9,20H,10-12H2,1H3,(H,22,25).
What are the key properties of 6-(1,3-benzodioxol-5-yl)-N-(4-methoxyphenyl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine-2-carboxamide?
6-(1,3-benzodioxol-5-yl)-N-(4-methoxyphenyl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine-2-carboxamide has a molecular weight of 393.40 g/mol, XLogP of 3.14, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1,3-benzodioxol-5-yl)-N-(4-methoxyphenyl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine-2-carboxamide is sourced from PubChem (CID 91889776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).