6-(4-chlorophenyl)-N-propyl-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazine-3-carboxamide

C15H17ClN4O2 — CID 91890861

IUPAC6-(4-chlorophenyl)-N-propyl-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazine-3-carboxamide
SMILESCCCNC(=O)c1nnn2c1COC(c1ccc(Cl)cc1)C2
InChIInChI=1S/C15H17ClN4O2/c1-2-7-17-15(21)14-12-9-22-13(8-20(12)19-18-14)10-3-5-11(16)6-4-10/h3-6,13H,2,7-9H2,1H3,(H,17,21)
InChIKeyWQEHBFXXTZIAIO-UHFFFAOYSA-N
MW320.78 g/mol
LogP2.34
Rot. Bonds4

About 6-(4-chlorophenyl)-N-propyl-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazine-3-carboxamide

6-(4-chlorophenyl)-N-propyl-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazine-3-carboxamide (PubChem CID 91890861) has the molecular formula C15H17ClN4O2 and a molecular weight of 320.78 g/mol. Its IUPAC name is 6-(4-chlorophenyl)-N-propyl-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazine-3-carboxamide.

Molecular Properties

Compound Name6-(4-chlorophenyl)-N-propyl-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazine-3-carboxamide
PubChem CID91890861
Molecular FormulaC15H17ClN4O2
Molecular Weight320.78 g/mol
Exact Mass320.10
IUPAC Name6-(4-chlorophenyl)-N-propyl-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazine-3-carboxamide
SMILESCCCNC(=O)c1nnn2c1COC(c1ccc(Cl)cc1)C2
InChIInChI=1S/C15H17ClN4O2/c1-2-7-17-15(21)14-12-9-22-13(8-20(12)19-18-14)10-3-5-11(16)6-4-10/h3-6,13H,2,7-9H2,1H3,(H,17,21)
InChIKeyWQEHBFXXTZIAIO-UHFFFAOYSA-N
XLogP2.34
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.78
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(4-chlorophenyl)-N-propyl-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazine-3-carboxamide?
The IUPAC name of 6-(4-chlorophenyl)-N-propyl-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazine-3-carboxamide (CID 91890861) is 6-(4-chlorophenyl)-N-propyl-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazine-3-carboxamide.
What is the SMILES notation for 6-(4-chlorophenyl)-N-propyl-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazine-3-carboxamide?
The canonical SMILES for 6-(4-chlorophenyl)-N-propyl-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazine-3-carboxamide is CCCNC(=O)c1nnn2c1COC(c1ccc(Cl)cc1)C2.
What is the InChIKey of 6-(4-chlorophenyl)-N-propyl-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazine-3-carboxamide?
The InChIKey is WQEHBFXXTZIAIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN4O2/c1-2-7-17-15(21)14-12-9-22-13(8-20(12)19-18-14)10-3-5-11(16)6-4-10/h3-6,13H,2,7-9H2,1H3,(H,17,21).
What are the key properties of 6-(4-chlorophenyl)-N-propyl-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazine-3-carboxamide?
6-(4-chlorophenyl)-N-propyl-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazine-3-carboxamide has a molecular weight of 320.78 g/mol, XLogP of 2.34, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-chlorophenyl)-N-propyl-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazine-3-carboxamide is sourced from PubChem (CID 91890861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).