1-tert-butyl-3,4-dihydropyrido[3,4-c]oxazine

C11H16N2O — CID 89212010

IUPAC1-tert-butyl-3,4-dihydropyrido[3,4-c]oxazine
SMILESCC(C)(C)N1OCCc2ccncc21
InChIInChI=1S/C11H16N2O/c1-11(2,3)13-10-8-12-6-4-9(10)5-7-14-13/h4,6,8H,5,7H2,1-3H3
InChIKeyHRCXLCPTHRRWPX-UHFFFAOYSA-N
MW192.26 g/mol
LogP2.17
Rot. Bonds

About 1-tert-butyl-3,4-dihydropyrido[3,4-c]oxazine

1-tert-butyl-3,4-dihydropyrido[3,4-c]oxazine (PubChem CID 89212010) has the molecular formula C11H16N2O and a molecular weight of 192.26 g/mol. Its IUPAC name is 1-tert-butyl-3,4-dihydropyrido[3,4-c]oxazine.

Molecular Properties

Compound Name1-tert-butyl-3,4-dihydropyrido[3,4-c]oxazine
PubChem CID89212010
Molecular FormulaC11H16N2O
Molecular Weight192.26 g/mol
Exact Mass192.13
IUPAC Name1-tert-butyl-3,4-dihydropyrido[3,4-c]oxazine
SMILESCC(C)(C)N1OCCc2ccncc21
InChIInChI=1S/C11H16N2O/c1-11(2,3)13-10-8-12-6-4-9(10)5-7-14-13/h4,6,8H,5,7H2,1-3H3
InChIKeyHRCXLCPTHRRWPX-UHFFFAOYSA-N
XLogP2.17
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-3,4-dihydropyrido[3,4-c]oxazine?
The IUPAC name of 1-tert-butyl-3,4-dihydropyrido[3,4-c]oxazine (CID 89212010) is 1-tert-butyl-3,4-dihydropyrido[3,4-c]oxazine.
What is the SMILES notation for 1-tert-butyl-3,4-dihydropyrido[3,4-c]oxazine?
The canonical SMILES for 1-tert-butyl-3,4-dihydropyrido[3,4-c]oxazine is CC(C)(C)N1OCCc2ccncc21.
What is the InChIKey of 1-tert-butyl-3,4-dihydropyrido[3,4-c]oxazine?
The InChIKey is HRCXLCPTHRRWPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O/c1-11(2,3)13-10-8-12-6-4-9(10)5-7-14-13/h4,6,8H,5,7H2,1-3H3.
What are the key properties of 1-tert-butyl-3,4-dihydropyrido[3,4-c]oxazine?
1-tert-butyl-3,4-dihydropyrido[3,4-c]oxazine has a molecular weight of 192.26 g/mol, XLogP of 2.17, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-3,4-dihydropyrido[3,4-c]oxazine is sourced from PubChem (CID 89212010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).