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

C18H21N3O4 — CID 91889844

IUPAC6-(1,3-benzodioxol-5-yl)-N-(2-methylpropyl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine-2-carboxamide
SMILESCC(C)CNC(=O)c1cc2n(n1)CC(c1ccc3c(c1)OCO3)OC2
InChIInChI=1S/C18H21N3O4/c1-11(2)7-19-18(22)14-6-13-9-23-17(8-21(13)20-14)12-3-4-15-16(5-12)25-10-24-15/h3-6,11,17H,7-10H2,1-2H3,(H,19,22)
InChIKeyWLOGBSFGIZLDDL-UHFFFAOYSA-N
MW343.38 g/mol
LogP2.27
Rot. Bonds4

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

6-(1,3-benzodioxol-5-yl)-N-(2-methylpropyl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine-2-carboxamide (PubChem CID 91889844) has the molecular formula C18H21N3O4 and a molecular weight of 343.38 g/mol. Its IUPAC name is 6-(1,3-benzodioxol-5-yl)-N-(2-methylpropyl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine-2-carboxamide.

Molecular Properties

Compound Name6-(1,3-benzodioxol-5-yl)-N-(2-methylpropyl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine-2-carboxamide
PubChem CID91889844
Molecular FormulaC18H21N3O4
Molecular Weight343.38 g/mol
Exact Mass343.15
IUPAC Name6-(1,3-benzodioxol-5-yl)-N-(2-methylpropyl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine-2-carboxamide
SMILESCC(C)CNC(=O)c1cc2n(n1)CC(c1ccc3c(c1)OCO3)OC2
InChIInChI=1S/C18H21N3O4/c1-11(2)7-19-18(22)14-6-13-9-23-17(8-21(13)20-14)12-3-4-15-16(5-12)25-10-24-15/h3-6,11,17H,7-10H2,1-2H3,(H,19,22)
InChIKeyWLOGBSFGIZLDDL-UHFFFAOYSA-N
XLogP2.27
TPSA74.61 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.38
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(6S)-6-(1,3-benzodioxol-5-yl)-N-(4-methylphenyl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine-2-carboxamide
CID 99758552
(6R)-6-(1,3-benzodioxol-5-yl)-N-[(3-methoxyphenyl)methyl]-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine-2-carboxamide
CID 99745122
(6S)-6-(1,3-benzodioxol-5-yl)-N-(4-fluoro-3-methylphenyl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine-2-carboxamide
CID 99745107
(6S)-6-(1,3-benzodioxol-5-yl)-N-(2,5-dimethoxyphenyl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine-2-carboxamide
CID 99745095
6-(4-chlorophenyl)-N-ethyl-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine-2-carboxamide
CID 91889794
6-(4-chlorophenyl)-N-[(2-chlorophenyl)methyl]-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine-2-carboxamide
CID 91889818
6-(4-chlorophenyl)-N-[(4-ethylphenyl)methyl]-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine-2-carboxamide
CID 91889807
(6S)-N-[(3-chloro-4-fluorophenyl)methyl]-6-(4-chlorophenyl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine-2-carboxamide
CID 99753891
(6R)-6-(1,3-benzodioxol-5-yl)-2-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine
CID 125128382
5-(1,3-benzodioxol-5-ylamino)-N-(2-methylpropyl)pyridine-2-carboxamide
CID 109181171
N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-6-(4-fluorophenyl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine-2-carboxamide
CID 91894496
(6S)-N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-6-phenyl-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine-2-carboxamide
CID 125128055

Frequently Asked Questions

What is the IUPAC name of 6-(1,3-benzodioxol-5-yl)-N-(2-methylpropyl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine-2-carboxamide?
The IUPAC name of 6-(1,3-benzodioxol-5-yl)-N-(2-methylpropyl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine-2-carboxamide (CID 91889844) is 6-(1,3-benzodioxol-5-yl)-N-(2-methylpropyl)-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-(2-methylpropyl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine-2-carboxamide?
The canonical SMILES for 6-(1,3-benzodioxol-5-yl)-N-(2-methylpropyl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine-2-carboxamide is CC(C)CNC(=O)c1cc2n(n1)CC(c1ccc3c(c1)OCO3)OC2.
What is the InChIKey of 6-(1,3-benzodioxol-5-yl)-N-(2-methylpropyl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine-2-carboxamide?
The InChIKey is WLOGBSFGIZLDDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O4/c1-11(2)7-19-18(22)14-6-13-9-23-17(8-21(13)20-14)12-3-4-15-16(5-12)25-10-24-15/h3-6,11,17H,7-10H2,1-2H3,(H,19,22).
What are the key properties of 6-(1,3-benzodioxol-5-yl)-N-(2-methylpropyl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine-2-carboxamide?
6-(1,3-benzodioxol-5-yl)-N-(2-methylpropyl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine-2-carboxamide has a molecular weight of 343.38 g/mol, XLogP of 2.27, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1,3-benzodioxol-5-yl)-N-(2-methylpropyl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine-2-carboxamide is sourced from PubChem (CID 91889844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).