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

C21H20ClN3O2 — CID 91889728

IUPAC6-(4-chlorophenyl)-N-(4-ethylphenyl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine-2-carboxamide
SMILESCCc1ccc(NC(=O)c2cc3n(n2)CC(c2ccc(Cl)cc2)OC3)cc1
InChIInChI=1S/C21H20ClN3O2/c1-2-14-3-9-17(10-4-14)23-21(26)19-11-18-13-27-20(12-25(18)24-19)15-5-7-16(22)8-6-15/h3-11,20H,2,12-13H2,1H3,(H,23,26)
InChIKeySLLRJGPWVXLIQY-UHFFFAOYSA-N
MW381.86 g/mol
LogP4.62
Rot. Bonds4

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

6-(4-chlorophenyl)-N-(4-ethylphenyl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine-2-carboxamide (PubChem CID 91889728) has the molecular formula C21H20ClN3O2 and a molecular weight of 381.86 g/mol. Its IUPAC name is 6-(4-chlorophenyl)-N-(4-ethylphenyl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine-2-carboxamide.

Molecular Properties

Compound Name6-(4-chlorophenyl)-N-(4-ethylphenyl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine-2-carboxamide
PubChem CID91889728
Molecular FormulaC21H20ClN3O2
Molecular Weight381.86 g/mol
Exact Mass381.12
IUPAC Name6-(4-chlorophenyl)-N-(4-ethylphenyl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine-2-carboxamide
SMILESCCc1ccc(NC(=O)c2cc3n(n2)CC(c2ccc(Cl)cc2)OC3)cc1
InChIInChI=1S/C21H20ClN3O2/c1-2-14-3-9-17(10-4-14)23-21(26)19-11-18-13-27-20(12-25(18)24-19)15-5-7-16(22)8-6-15/h3-11,20H,2,12-13H2,1H3,(H,23,26)
InChIKeySLLRJGPWVXLIQY-UHFFFAOYSA-N
XLogP4.62
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.86
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(4-chlorophenyl)-N-(4-ethylphenyl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine-2-carboxamide?
The IUPAC name of 6-(4-chlorophenyl)-N-(4-ethylphenyl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine-2-carboxamide (CID 91889728) is 6-(4-chlorophenyl)-N-(4-ethylphenyl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine-2-carboxamide.
What is the SMILES notation for 6-(4-chlorophenyl)-N-(4-ethylphenyl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine-2-carboxamide?
The canonical SMILES for 6-(4-chlorophenyl)-N-(4-ethylphenyl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine-2-carboxamide is CCc1ccc(NC(=O)c2cc3n(n2)CC(c2ccc(Cl)cc2)OC3)cc1.
What is the InChIKey of 6-(4-chlorophenyl)-N-(4-ethylphenyl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine-2-carboxamide?
The InChIKey is SLLRJGPWVXLIQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20ClN3O2/c1-2-14-3-9-17(10-4-14)23-21(26)19-11-18-13-27-20(12-25(18)24-19)15-5-7-16(22)8-6-15/h3-11,20H,2,12-13H2,1H3,(H,23,26).
What are the key properties of 6-(4-chlorophenyl)-N-(4-ethylphenyl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine-2-carboxamide?
6-(4-chlorophenyl)-N-(4-ethylphenyl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine-2-carboxamide has a molecular weight of 381.86 g/mol, XLogP of 4.62, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-chlorophenyl)-N-(4-ethylphenyl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine-2-carboxamide is sourced from PubChem (CID 91889728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).