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

C15H16ClN3O2 — CID 91889794

IUPAC6-(4-chlorophenyl)-N-ethyl-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine-2-carboxamide
SMILESCCNC(=O)c1cc2n(n1)CC(c1ccc(Cl)cc1)OC2
InChIInChI=1S/C15H16ClN3O2/c1-2-17-15(20)13-7-12-9-21-14(8-19(12)18-13)10-3-5-11(16)6-4-10/h3-7,14H,2,8-9H2,1H3,(H,17,20)
InChIKeyXXCISUHXXVFZGM-UHFFFAOYSA-N
MW305.77 g/mol
LogP2.56
Rot. Bonds3

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

6-(4-chlorophenyl)-N-ethyl-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine-2-carboxamide (PubChem CID 91889794) has the molecular formula C15H16ClN3O2 and a molecular weight of 305.77 g/mol. Its IUPAC name is 6-(4-chlorophenyl)-N-ethyl-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine-2-carboxamide.

Molecular Properties

Compound Name6-(4-chlorophenyl)-N-ethyl-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine-2-carboxamide
PubChem CID91889794
Molecular FormulaC15H16ClN3O2
Molecular Weight305.77 g/mol
Exact Mass305.09
IUPAC Name6-(4-chlorophenyl)-N-ethyl-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine-2-carboxamide
SMILESCCNC(=O)c1cc2n(n1)CC(c1ccc(Cl)cc1)OC2
InChIInChI=1S/C15H16ClN3O2/c1-2-17-15(20)13-7-12-9-21-14(8-19(12)18-13)10-3-5-11(16)6-4-10/h3-7,14H,2,8-9H2,1H3,(H,17,20)
InChIKeyXXCISUHXXVFZGM-UHFFFAOYSA-N
XLogP2.56
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.77
LogP ≤ 52.56
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-ethyl-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine-2-carboxamide?
The IUPAC name of 6-(4-chlorophenyl)-N-ethyl-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine-2-carboxamide (CID 91889794) is 6-(4-chlorophenyl)-N-ethyl-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine-2-carboxamide.
What is the SMILES notation for 6-(4-chlorophenyl)-N-ethyl-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine-2-carboxamide?
The canonical SMILES for 6-(4-chlorophenyl)-N-ethyl-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine-2-carboxamide is CCNC(=O)c1cc2n(n1)CC(c1ccc(Cl)cc1)OC2.
What is the InChIKey of 6-(4-chlorophenyl)-N-ethyl-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine-2-carboxamide?
The InChIKey is XXCISUHXXVFZGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClN3O2/c1-2-17-15(20)13-7-12-9-21-14(8-19(12)18-13)10-3-5-11(16)6-4-10/h3-7,14H,2,8-9H2,1H3,(H,17,20).
What are the key properties of 6-(4-chlorophenyl)-N-ethyl-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine-2-carboxamide?
6-(4-chlorophenyl)-N-ethyl-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine-2-carboxamide has a molecular weight of 305.77 g/mol, XLogP of 2.56, 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-ethyl-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine-2-carboxamide is sourced from PubChem (CID 91889794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).