(5-chloro-1-ethyl-3-methylpyrazol-4-yl)-(4-methyl-3,4a,5,7,8,8a-hexahydro-2H-pyrido[4,3-b][1,4]oxazin-6-yl)methanone

C15H23ClN4O2 — CID 128974424

IUPAC(5-chloro-1-ethyl-3-methylpyrazol-4-yl)-(4-methyl-3,4a,5,7,8,8a-hexahydro-2H-pyrido[4,3-b][1,4]oxazin-6-yl)methanone
SMILESCCn1nc(C)c(C(=O)N2CCC3OCCN(C)C3C2)c1Cl
InChIInChI=1S/C15H23ClN4O2/c1-4-20-14(16)13(10(2)17-20)15(21)19-6-5-12-11(9-19)18(3)7-8-22-12/h11-12H,4-9H2,1-3H3
InChIKeyLBPNLDQKGLHVEO-UHFFFAOYSA-N
MW326.83 g/mol
LogP1.41
Rot. Bonds2

About (5-chloro-1-ethyl-3-methylpyrazol-4-yl)-(4-methyl-3,4a,5,7,8,8a-hexahydro-2H-pyrido[4,3-b][1,4]oxazin-6-yl)methanone

(5-chloro-1-ethyl-3-methylpyrazol-4-yl)-(4-methyl-3,4a,5,7,8,8a-hexahydro-2H-pyrido[4,3-b][1,4]oxazin-6-yl)methanone (PubChem CID 128974424) has the molecular formula C15H23ClN4O2 and a molecular weight of 326.83 g/mol. Its IUPAC name is (5-chloro-1-ethyl-3-methylpyrazol-4-yl)-(4-methyl-3,4a,5,7,8,8a-hexahydro-2H-pyrido[4,3-b][1,4]oxazin-6-yl)methanone.

Molecular Properties

Compound Name(5-chloro-1-ethyl-3-methylpyrazol-4-yl)-(4-methyl-3,4a,5,7,8,8a-hexahydro-2H-pyrido[4,3-b][1,4]oxazin-6-yl)methanone
PubChem CID128974424
Molecular FormulaC15H23ClN4O2
Molecular Weight326.83 g/mol
Exact Mass326.15
IUPAC Name(5-chloro-1-ethyl-3-methylpyrazol-4-yl)-(4-methyl-3,4a,5,7,8,8a-hexahydro-2H-pyrido[4,3-b][1,4]oxazin-6-yl)methanone
SMILESCCn1nc(C)c(C(=O)N2CCC3OCCN(C)C3C2)c1Cl
InChIInChI=1S/C15H23ClN4O2/c1-4-20-14(16)13(10(2)17-20)15(21)19-6-5-12-11(9-19)18(3)7-8-22-12/h11-12H,4-9H2,1-3H3
InChIKeyLBPNLDQKGLHVEO-UHFFFAOYSA-N
XLogP1.41
TPSA50.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.83
LogP ≤ 51.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (5-chloro-1-ethyl-3-methylpyrazol-4-yl)-(4-methyl-3,4a,5,7,8,8a-hexahydro-2H-pyrido[4,3-b][1,4]oxazin-6-yl)methanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of (5-chloro-1-ethyl-3-methylpyrazol-4-yl)-(4-methyl-3,4a,5,7,8,8a-hexahydro-2H-pyrido[4,3-b][1,4]oxazin-6-yl)methanone?
The IUPAC name of (5-chloro-1-ethyl-3-methylpyrazol-4-yl)-(4-methyl-3,4a,5,7,8,8a-hexahydro-2H-pyrido[4,3-b][1,4]oxazin-6-yl)methanone (CID 128974424) is (5-chloro-1-ethyl-3-methylpyrazol-4-yl)-(4-methyl-3,4a,5,7,8,8a-hexahydro-2H-pyrido[4,3-b][1,4]oxazin-6-yl)methanone.
What is the SMILES notation for (5-chloro-1-ethyl-3-methylpyrazol-4-yl)-(4-methyl-3,4a,5,7,8,8a-hexahydro-2H-pyrido[4,3-b][1,4]oxazin-6-yl)methanone?
The canonical SMILES for (5-chloro-1-ethyl-3-methylpyrazol-4-yl)-(4-methyl-3,4a,5,7,8,8a-hexahydro-2H-pyrido[4,3-b][1,4]oxazin-6-yl)methanone is CCn1nc(C)c(C(=O)N2CCC3OCCN(C)C3C2)c1Cl.
What is the InChIKey of (5-chloro-1-ethyl-3-methylpyrazol-4-yl)-(4-methyl-3,4a,5,7,8,8a-hexahydro-2H-pyrido[4,3-b][1,4]oxazin-6-yl)methanone?
The InChIKey is LBPNLDQKGLHVEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClN4O2/c1-4-20-14(16)13(10(2)17-20)15(21)19-6-5-12-11(9-19)18(3)7-8-22-12/h11-12H,4-9H2,1-3H3.
What are the key properties of (5-chloro-1-ethyl-3-methylpyrazol-4-yl)-(4-methyl-3,4a,5,7,8,8a-hexahydro-2H-pyrido[4,3-b][1,4]oxazin-6-yl)methanone?
(5-chloro-1-ethyl-3-methylpyrazol-4-yl)-(4-methyl-3,4a,5,7,8,8a-hexahydro-2H-pyrido[4,3-b][1,4]oxazin-6-yl)methanone has a molecular weight of 326.83 g/mol, XLogP of 1.41, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chloro-1-ethyl-3-methylpyrazol-4-yl)-(4-methyl-3,4a,5,7,8,8a-hexahydro-2H-pyrido[4,3-b][1,4]oxazin-6-yl)methanone is sourced from PubChem (CID 128974424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).