8-[4-(2H-tetrazol-5-yl)phenyl]-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine

C13H12N6O — CID 23651394

IUPAC8-[4-(2H-tetrazol-5-yl)phenyl]-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine
SMILESc1cc(C2OCCn3cncc32)ccc1-c1nn[nH]n1
InChIInChI=1S/C13H12N6O/c1-3-10(13-15-17-18-16-13)4-2-9(1)12-11-7-14-8-19(11)5-6-20-12/h1-4,7-8,12H,5-6H2,(H,15,16,17,18)
InChIKeyPLKNJJDFDXATPA-UHFFFAOYSA-N
MW268.28 g/mol
LogP1.18
Rot. Bonds2

About 8-[4-(2H-tetrazol-5-yl)phenyl]-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine

8-[4-(2H-tetrazol-5-yl)phenyl]-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine (PubChem CID 23651394) has the molecular formula C13H12N6O and a molecular weight of 268.28 g/mol. Its IUPAC name is 8-[4-(2H-tetrazol-5-yl)phenyl]-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine.

Molecular Properties

Compound Name8-[4-(2H-tetrazol-5-yl)phenyl]-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine
PubChem CID23651394
Molecular FormulaC13H12N6O
Molecular Weight268.28 g/mol
Exact Mass268.11
IUPAC Name8-[4-(2H-tetrazol-5-yl)phenyl]-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine
SMILESc1cc(C2OCCn3cncc32)ccc1-c1nn[nH]n1
InChIInChI=1S/C13H12N6O/c1-3-10(13-15-17-18-16-13)4-2-9(1)12-11-7-14-8-19(11)5-6-20-12/h1-4,7-8,12H,5-6H2,(H,15,16,17,18)
InChIKeyPLKNJJDFDXATPA-UHFFFAOYSA-N
XLogP1.18
TPSA81.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.28
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 8-[4-(2H-tetrazol-5-yl)phenyl]-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine?
The IUPAC name of 8-[4-(2H-tetrazol-5-yl)phenyl]-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine (CID 23651394) is 8-[4-(2H-tetrazol-5-yl)phenyl]-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine.
What is the SMILES notation for 8-[4-(2H-tetrazol-5-yl)phenyl]-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine?
The canonical SMILES for 8-[4-(2H-tetrazol-5-yl)phenyl]-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine is c1cc(C2OCCn3cncc32)ccc1-c1nn[nH]n1.
What is the InChIKey of 8-[4-(2H-tetrazol-5-yl)phenyl]-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine?
The InChIKey is PLKNJJDFDXATPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N6O/c1-3-10(13-15-17-18-16-13)4-2-9(1)12-11-7-14-8-19(11)5-6-20-12/h1-4,7-8,12H,5-6H2,(H,15,16,17,18).
What are the key properties of 8-[4-(2H-tetrazol-5-yl)phenyl]-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine?
8-[4-(2H-tetrazol-5-yl)phenyl]-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine has a molecular weight of 268.28 g/mol, XLogP of 1.18, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[4-(2H-tetrazol-5-yl)phenyl]-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine is sourced from PubChem (CID 23651394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).