3-tert-butyl-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine

C11H16N2O — CID 169281133

IUPAC3-tert-butyl-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine
SMILESCC(C)(C)C1COc2cccnc2N1
InChIInChI=1S/C11H16N2O/c1-11(2,3)9-7-14-8-5-4-6-12-10(8)13-9/h4-6,9H,7H2,1-3H3,(H,12,13)
InChIKeyIFXNZIVMQCRTFT-UHFFFAOYSA-N
MW192.26 g/mol
LogP2.30
Rot. Bonds

About 3-tert-butyl-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine

3-tert-butyl-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine (PubChem CID 169281133) has the molecular formula C11H16N2O and a molecular weight of 192.26 g/mol. Its IUPAC name is 3-tert-butyl-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine.

Molecular Properties

Compound Name3-tert-butyl-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine
PubChem CID169281133
Molecular FormulaC11H16N2O
Molecular Weight192.26 g/mol
Exact Mass192.13
IUPAC Name3-tert-butyl-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine
SMILESCC(C)(C)C1COc2cccnc2N1
InChIInChI=1S/C11H16N2O/c1-11(2,3)9-7-14-8-5-4-6-12-10(8)13-9/h4-6,9H,7H2,1-3H3,(H,12,13)
InChIKeyIFXNZIVMQCRTFT-UHFFFAOYSA-N
XLogP2.30
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine?
The IUPAC name of 3-tert-butyl-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine (CID 169281133) is 3-tert-butyl-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine.
What is the SMILES notation for 3-tert-butyl-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine?
The canonical SMILES for 3-tert-butyl-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine is CC(C)(C)C1COc2cccnc2N1.
What is the InChIKey of 3-tert-butyl-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine?
The InChIKey is IFXNZIVMQCRTFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O/c1-11(2,3)9-7-14-8-5-4-6-12-10(8)13-9/h4-6,9H,7H2,1-3H3,(H,12,13).
What are the key properties of 3-tert-butyl-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine?
3-tert-butyl-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine has a molecular weight of 192.26 g/mol, XLogP of 2.30, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine is sourced from PubChem (CID 169281133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).