(4aS,8aS)-N-(1-cyclohexyl-5-methylpyrazol-3-yl)-3-oxo-4,4a,5,7,8,8a-hexahydropyrido[4,3-b][1,4]oxazine-6-carboxamide

C18H27N5O3 — CID 128629932

IUPAC(4aS,8aS)-N-(1-cyclohexyl-5-methylpyrazol-3-yl)-3-oxo-4,4a,5,7,8,8a-hexahydropyrido[4,3-b][1,4]oxazine-6-carboxamide
SMILESCc1cc(NC(=O)N2CC[C@@H]3OCC(=O)N[C@H]3C2)nn1C1CCCCC1
InChIInChI=1S/C18H27N5O3/c1-12-9-16(21-23(12)13-5-3-2-4-6-13)20-18(25)22-8-7-15-14(10-22)19-17(24)11-26-15/h9,13-15H,2-8,10-11H2,1H3,(H,19,24)(H,20,21,25)/t14-,15-/m0/s1
InChIKeyFWWATYOPMCGJPT-GJZGRUSLSA-N
MW361.45 g/mol
LogP1.82
Rot. Bonds2

About (4aS,8aS)-N-(1-cyclohexyl-5-methylpyrazol-3-yl)-3-oxo-4,4a,5,7,8,8a-hexahydropyrido[4,3-b][1,4]oxazine-6-carboxamide

(4aS,8aS)-N-(1-cyclohexyl-5-methylpyrazol-3-yl)-3-oxo-4,4a,5,7,8,8a-hexahydropyrido[4,3-b][1,4]oxazine-6-carboxamide (PubChem CID 128629932) has the molecular formula C18H27N5O3 and a molecular weight of 361.45 g/mol. Its IUPAC name is (4aS,8aS)-N-(1-cyclohexyl-5-methylpyrazol-3-yl)-3-oxo-4,4a,5,7,8,8a-hexahydropyrido[4,3-b][1,4]oxazine-6-carboxamide.

Molecular Properties

Compound Name(4aS,8aS)-N-(1-cyclohexyl-5-methylpyrazol-3-yl)-3-oxo-4,4a,5,7,8,8a-hexahydropyrido[4,3-b][1,4]oxazine-6-carboxamide
PubChem CID128629932
Molecular FormulaC18H27N5O3
Molecular Weight361.45 g/mol
Exact Mass361.21
IUPAC Name(4aS,8aS)-N-(1-cyclohexyl-5-methylpyrazol-3-yl)-3-oxo-4,4a,5,7,8,8a-hexahydropyrido[4,3-b][1,4]oxazine-6-carboxamide
SMILESCc1cc(NC(=O)N2CC[C@@H]3OCC(=O)N[C@H]3C2)nn1C1CCCCC1
InChIInChI=1S/C18H27N5O3/c1-12-9-16(21-23(12)13-5-3-2-4-6-13)20-18(25)22-8-7-15-14(10-22)19-17(24)11-26-15/h9,13-15H,2-8,10-11H2,1H3,(H,19,24)(H,20,21,25)/t14-,15-/m0/s1
InChIKeyFWWATYOPMCGJPT-GJZGRUSLSA-N
XLogP1.82
TPSA88.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.45
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (4aS,8aS)-N-(1-cyclohexyl-5-methylpyrazol-3-yl)-3-oxo-4,4a,5,7,8,8a-hexahydropyrido[4,3-b][1,4]oxazine-6-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of (4aS,8aS)-N-(1-cyclohexyl-5-methylpyrazol-3-yl)-3-oxo-4,4a,5,7,8,8a-hexahydropyrido[4,3-b][1,4]oxazine-6-carboxamide?
The IUPAC name of (4aS,8aS)-N-(1-cyclohexyl-5-methylpyrazol-3-yl)-3-oxo-4,4a,5,7,8,8a-hexahydropyrido[4,3-b][1,4]oxazine-6-carboxamide (CID 128629932) is (4aS,8aS)-N-(1-cyclohexyl-5-methylpyrazol-3-yl)-3-oxo-4,4a,5,7,8,8a-hexahydropyrido[4,3-b][1,4]oxazine-6-carboxamide.
What is the SMILES notation for (4aS,8aS)-N-(1-cyclohexyl-5-methylpyrazol-3-yl)-3-oxo-4,4a,5,7,8,8a-hexahydropyrido[4,3-b][1,4]oxazine-6-carboxamide?
The canonical SMILES for (4aS,8aS)-N-(1-cyclohexyl-5-methylpyrazol-3-yl)-3-oxo-4,4a,5,7,8,8a-hexahydropyrido[4,3-b][1,4]oxazine-6-carboxamide is Cc1cc(NC(=O)N2CC[C@@H]3OCC(=O)N[C@H]3C2)nn1C1CCCCC1.
What is the InChIKey of (4aS,8aS)-N-(1-cyclohexyl-5-methylpyrazol-3-yl)-3-oxo-4,4a,5,7,8,8a-hexahydropyrido[4,3-b][1,4]oxazine-6-carboxamide?
The InChIKey is FWWATYOPMCGJPT-GJZGRUSLSA-N. The full InChI is InChI=1S/C18H27N5O3/c1-12-9-16(21-23(12)13-5-3-2-4-6-13)20-18(25)22-8-7-15-14(10-22)19-17(24)11-26-15/h9,13-15H,2-8,10-11H2,1H3,(H,19,24)(H,20,21,25)/t14-,15-/m0/s1.
What are the key properties of (4aS,8aS)-N-(1-cyclohexyl-5-methylpyrazol-3-yl)-3-oxo-4,4a,5,7,8,8a-hexahydropyrido[4,3-b][1,4]oxazine-6-carboxamide?
(4aS,8aS)-N-(1-cyclohexyl-5-methylpyrazol-3-yl)-3-oxo-4,4a,5,7,8,8a-hexahydropyrido[4,3-b][1,4]oxazine-6-carboxamide has a molecular weight of 361.45 g/mol, XLogP of 1.82, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4aS,8aS)-N-(1-cyclohexyl-5-methylpyrazol-3-yl)-3-oxo-4,4a,5,7,8,8a-hexahydropyrido[4,3-b][1,4]oxazine-6-carboxamide is sourced from PubChem (CID 128629932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).