N-[4-(tetrazol-1-yl)phenyl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxamide

C14H13N7O2 — CID 71789417

About N-[4-(tetrazol-1-yl)phenyl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxamide

N-[4-(tetrazol-1-yl)phenyl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxamide (PubChem CID 71789417) has the molecular formula C14H13N7O2 and a molecular weight of 311.31 g/mol. Its IUPAC name is N-[4-(tetrazol-1-yl)phenyl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxamide.

Molecular Properties

• Compound Name: N-[4-(tetrazol-1-yl)phenyl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxamide
• PubChem CID: 71789417
• Molecular Formula: C14H13N7O2
• Molecular Weight: 311.31 g/mol
• Exact Mass: 311.11
• IUPAC Name: N-[4-(tetrazol-1-yl)phenyl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxamide
• SMILES: O=C(Nc1ccc(-n2cnnn2)cc1)c1cnn2c1OCCC2
• InChI: InChI=1S/C14H13N7O2/c22-13(12-8-16-20-6-1-7-23-14(12)20)17-10-2-4-11(5-3-10)21-9-15-18-19-21/h2-5,8-9H,1,6-7H2,(H,17,22)
• InChIKey: HQFCGVIJKMQGAL-UHFFFAOYSA-N
• XLogP: 0.89
• TPSA: 99.75 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 3
• Heavy Atoms: 23
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	311.31
LogP ≤ 5	0.89
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-[4-(tetrazol-1-yl)phenyl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxamide?

The IUPAC name of N-[4-(tetrazol-1-yl)phenyl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxamide (CID 71789417) is N-[4-(tetrazol-1-yl)phenyl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxamide.

What is the SMILES notation for N-[4-(tetrazol-1-yl)phenyl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxamide?

The canonical SMILES for N-[4-(tetrazol-1-yl)phenyl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxamide is O=C(Nc1ccc(-n2cnnn2)cc1)c1cnn2c1OCCC2.

What is the InChIKey of N-[4-(tetrazol-1-yl)phenyl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxamide?

The InChIKey is HQFCGVIJKMQGAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N7O2/c22-13(12-8-16-20-6-1-7-23-14(12)20)17-10-2-4-11(5-3-10)21-9-15-18-19-21/h2-5,8-9H,1,6-7H2,(H,17,22).

What are the key properties of N-[4-(tetrazol-1-yl)phenyl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxamide?

N-[4-(tetrazol-1-yl)phenyl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxamide has a molecular weight of 311.31 g/mol, XLogP of 0.89, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-(tetrazol-1-yl)phenyl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxamide is sourced from PubChem (CID 71789417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).