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

C20H18ClN3O2 — CID 91889724

IUPAC6-(4-chlorophenyl)-N-(4-methylphenyl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine-2-carboxamide
SMILESCc1ccc(NC(=O)c2cc3n(n2)CC(c2ccc(Cl)cc2)OC3)cc1
InChIInChI=1S/C20H18ClN3O2/c1-13-2-8-16(9-3-13)22-20(25)18-10-17-12-26-19(11-24(17)23-18)14-4-6-15(21)7-5-14/h2-10,19H,11-12H2,1H3,(H,22,25)
InChIKeyABJZRRZDHKZRJO-UHFFFAOYSA-N
MW367.84 g/mol
LogP4.37
Rot. Bonds3

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

6-(4-chlorophenyl)-N-(4-methylphenyl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine-2-carboxamide (PubChem CID 91889724) has the molecular formula C20H18ClN3O2 and a molecular weight of 367.84 g/mol. Its IUPAC name is 6-(4-chlorophenyl)-N-(4-methylphenyl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine-2-carboxamide.

Molecular Properties

Compound Name6-(4-chlorophenyl)-N-(4-methylphenyl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine-2-carboxamide
PubChem CID91889724
Molecular FormulaC20H18ClN3O2
Molecular Weight367.84 g/mol
Exact Mass367.11
IUPAC Name6-(4-chlorophenyl)-N-(4-methylphenyl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine-2-carboxamide
SMILESCc1ccc(NC(=O)c2cc3n(n2)CC(c2ccc(Cl)cc2)OC3)cc1
InChIInChI=1S/C20H18ClN3O2/c1-13-2-8-16(9-3-13)22-20(25)18-10-17-12-26-19(11-24(17)23-18)14-4-6-15(21)7-5-14/h2-10,19H,11-12H2,1H3,(H,22,25)
InChIKeyABJZRRZDHKZRJO-UHFFFAOYSA-N
XLogP4.37
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.84
LogP ≤ 54.37
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-methylphenyl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine-2-carboxamide?
The IUPAC name of 6-(4-chlorophenyl)-N-(4-methylphenyl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine-2-carboxamide (CID 91889724) is 6-(4-chlorophenyl)-N-(4-methylphenyl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine-2-carboxamide.
What is the SMILES notation for 6-(4-chlorophenyl)-N-(4-methylphenyl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine-2-carboxamide?
The canonical SMILES for 6-(4-chlorophenyl)-N-(4-methylphenyl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine-2-carboxamide is Cc1ccc(NC(=O)c2cc3n(n2)CC(c2ccc(Cl)cc2)OC3)cc1.
What is the InChIKey of 6-(4-chlorophenyl)-N-(4-methylphenyl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine-2-carboxamide?
The InChIKey is ABJZRRZDHKZRJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClN3O2/c1-13-2-8-16(9-3-13)22-20(25)18-10-17-12-26-19(11-24(17)23-18)14-4-6-15(21)7-5-14/h2-10,19H,11-12H2,1H3,(H,22,25).
What are the key properties of 6-(4-chlorophenyl)-N-(4-methylphenyl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine-2-carboxamide?
6-(4-chlorophenyl)-N-(4-methylphenyl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine-2-carboxamide has a molecular weight of 367.84 g/mol, XLogP of 4.37, 3 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-methylphenyl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine-2-carboxamide is sourced from PubChem (CID 91889724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).