1-(7-methyl-2,3-dihydropyrido[2,3-b][1,4]oxazin-1-yl)-2-(5-phenyltetrazol-2-yl)propan-1-one

C18H18N6O2 — CID 126783528

IUPAC1-(7-methyl-2,3-dihydropyrido[2,3-b][1,4]oxazin-1-yl)-2-(5-phenyltetrazol-2-yl)propan-1-one
SMILESCc1cnc2c(c1)N(C(=O)C(C)n1nnc(-c3ccccc3)n1)CCO2
InChIInChI=1S/C18H18N6O2/c1-12-10-15-17(19-11-12)26-9-8-23(15)18(25)13(2)24-21-16(20-22-24)14-6-4-3-5-7-14/h3-7,10-11,13H,8-9H2,1-2H3
InChIKeyXSWBJSOUPIHNGR-UHFFFAOYSA-N
MW350.38 g/mol
LogP2.03
Rot. Bonds3

About 1-(7-methyl-2,3-dihydropyrido[2,3-b][1,4]oxazin-1-yl)-2-(5-phenyltetrazol-2-yl)propan-1-one

1-(7-methyl-2,3-dihydropyrido[2,3-b][1,4]oxazin-1-yl)-2-(5-phenyltetrazol-2-yl)propan-1-one (PubChem CID 126783528) has the molecular formula C18H18N6O2 and a molecular weight of 350.38 g/mol. Its IUPAC name is 1-(7-methyl-2,3-dihydropyrido[2,3-b][1,4]oxazin-1-yl)-2-(5-phenyltetrazol-2-yl)propan-1-one.

Molecular Properties

Compound Name1-(7-methyl-2,3-dihydropyrido[2,3-b][1,4]oxazin-1-yl)-2-(5-phenyltetrazol-2-yl)propan-1-one
PubChem CID126783528
Molecular FormulaC18H18N6O2
Molecular Weight350.38 g/mol
Exact Mass350.15
IUPAC Name1-(7-methyl-2,3-dihydropyrido[2,3-b][1,4]oxazin-1-yl)-2-(5-phenyltetrazol-2-yl)propan-1-one
SMILESCc1cnc2c(c1)N(C(=O)C(C)n1nnc(-c3ccccc3)n1)CCO2
InChIInChI=1S/C18H18N6O2/c1-12-10-15-17(19-11-12)26-9-8-23(15)18(25)13(2)24-21-16(20-22-24)14-6-4-3-5-7-14/h3-7,10-11,13H,8-9H2,1-2H3
InChIKeyXSWBJSOUPIHNGR-UHFFFAOYSA-N
XLogP2.03
TPSA86.03 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.38
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-(7-methyl-2,3-dihydropyrido[2,3-b][1,4]oxazin-1-yl)-2-(5-phenyltetrazol-2-yl)propan-1-one?
The IUPAC name of 1-(7-methyl-2,3-dihydropyrido[2,3-b][1,4]oxazin-1-yl)-2-(5-phenyltetrazol-2-yl)propan-1-one (CID 126783528) is 1-(7-methyl-2,3-dihydropyrido[2,3-b][1,4]oxazin-1-yl)-2-(5-phenyltetrazol-2-yl)propan-1-one.
What is the SMILES notation for 1-(7-methyl-2,3-dihydropyrido[2,3-b][1,4]oxazin-1-yl)-2-(5-phenyltetrazol-2-yl)propan-1-one?
The canonical SMILES for 1-(7-methyl-2,3-dihydropyrido[2,3-b][1,4]oxazin-1-yl)-2-(5-phenyltetrazol-2-yl)propan-1-one is Cc1cnc2c(c1)N(C(=O)C(C)n1nnc(-c3ccccc3)n1)CCO2.
What is the InChIKey of 1-(7-methyl-2,3-dihydropyrido[2,3-b][1,4]oxazin-1-yl)-2-(5-phenyltetrazol-2-yl)propan-1-one?
The InChIKey is XSWBJSOUPIHNGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N6O2/c1-12-10-15-17(19-11-12)26-9-8-23(15)18(25)13(2)24-21-16(20-22-24)14-6-4-3-5-7-14/h3-7,10-11,13H,8-9H2,1-2H3.
What are the key properties of 1-(7-methyl-2,3-dihydropyrido[2,3-b][1,4]oxazin-1-yl)-2-(5-phenyltetrazol-2-yl)propan-1-one?
1-(7-methyl-2,3-dihydropyrido[2,3-b][1,4]oxazin-1-yl)-2-(5-phenyltetrazol-2-yl)propan-1-one has a molecular weight of 350.38 g/mol, XLogP of 2.03, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-methyl-2,3-dihydropyrido[2,3-b][1,4]oxazin-1-yl)-2-(5-phenyltetrazol-2-yl)propan-1-one is sourced from PubChem (CID 126783528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).