(3R)-3-ethyl-7-(1-methylpyrazol-4-yl)-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazine

C13H16N4O — CID 176991107

IUPAC(3R)-3-ethyl-7-(1-methylpyrazol-4-yl)-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazine
SMILESCC[C@@H]1CNc2cc(-c3cnn(C)c3)cnc2O1
InChIInChI=1S/C13H16N4O/c1-3-11-7-14-12-4-9(5-15-13(12)18-11)10-6-16-17(2)8-10/h4-6,8,11,14H,3,7H2,1-2H3/t11-/m1/s1
InChIKeyLMOMDDVITWHDPN-LLVKDONJSA-N
MW244.30 g/mol
LogP2.07
Rot. Bonds2

About (3R)-3-ethyl-7-(1-methylpyrazol-4-yl)-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazine

(3R)-3-ethyl-7-(1-methylpyrazol-4-yl)-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazine (PubChem CID 176991107) has the molecular formula C13H16N4O and a molecular weight of 244.30 g/mol. Its IUPAC name is (3R)-3-ethyl-7-(1-methylpyrazol-4-yl)-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazine.

Molecular Properties

Compound Name(3R)-3-ethyl-7-(1-methylpyrazol-4-yl)-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazine
PubChem CID176991107
Molecular FormulaC13H16N4O
Molecular Weight244.30 g/mol
Exact Mass244.13
IUPAC Name(3R)-3-ethyl-7-(1-methylpyrazol-4-yl)-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazine
SMILESCC[C@@H]1CNc2cc(-c3cnn(C)c3)cnc2O1
InChIInChI=1S/C13H16N4O/c1-3-11-7-14-12-4-9(5-15-13(12)18-11)10-6-16-17(2)8-10/h4-6,8,11,14H,3,7H2,1-2H3/t11-/m1/s1
InChIKeyLMOMDDVITWHDPN-LLVKDONJSA-N
XLogP2.07
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.30
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-ethyl-7-(1-methylpyrazol-4-yl)-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazine?
The IUPAC name of (3R)-3-ethyl-7-(1-methylpyrazol-4-yl)-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazine (CID 176991107) is (3R)-3-ethyl-7-(1-methylpyrazol-4-yl)-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazine.
What is the SMILES notation for (3R)-3-ethyl-7-(1-methylpyrazol-4-yl)-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazine?
The canonical SMILES for (3R)-3-ethyl-7-(1-methylpyrazol-4-yl)-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazine is CC[C@@H]1CNc2cc(-c3cnn(C)c3)cnc2O1.
What is the InChIKey of (3R)-3-ethyl-7-(1-methylpyrazol-4-yl)-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazine?
The InChIKey is LMOMDDVITWHDPN-LLVKDONJSA-N. The full InChI is InChI=1S/C13H16N4O/c1-3-11-7-14-12-4-9(5-15-13(12)18-11)10-6-16-17(2)8-10/h4-6,8,11,14H,3,7H2,1-2H3/t11-/m1/s1.
What are the key properties of (3R)-3-ethyl-7-(1-methylpyrazol-4-yl)-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazine?
(3R)-3-ethyl-7-(1-methylpyrazol-4-yl)-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazine has a molecular weight of 244.30 g/mol, XLogP of 2.07, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-ethyl-7-(1-methylpyrazol-4-yl)-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazine is sourced from PubChem (CID 176991107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).