2-(2-methyl-6-nitro-3-oxopyrido[3,2-b][1,4]oxazin-4-yl)-N-[5-(oxolan-2-yl)-1,3,4-thiadiazol-2-yl]acetamide

C16H16N6O6S — CID 110831860

IUPAC2-(2-methyl-6-nitro-3-oxopyrido[3,2-b][1,4]oxazin-4-yl)-N-[5-(oxolan-2-yl)-1,3,4-thiadiazol-2-yl]acetamide
SMILESCC1Oc2ccc([N+](=O)[O-])nc2N(CC(=O)Nc2nnc(C3CCCO3)s2)C1=O
InChIInChI=1S/C16H16N6O6S/c1-8-15(24)21(13-9(28-8)4-5-11(17-13)22(25)26)7-12(23)18-16-20-19-14(29-16)10-3-2-6-27-10/h4-5,8,10H,2-3,6-7H2,1H3,(H,18,20,23)
InChIKeyGFOUVHXGTRIZIV-UHFFFAOYSA-N
MW420.41 g/mol
LogP1.45
Rot. Bonds5

About 2-(2-methyl-6-nitro-3-oxopyrido[3,2-b][1,4]oxazin-4-yl)-N-[5-(oxolan-2-yl)-1,3,4-thiadiazol-2-yl]acetamide

2-(2-methyl-6-nitro-3-oxopyrido[3,2-b][1,4]oxazin-4-yl)-N-[5-(oxolan-2-yl)-1,3,4-thiadiazol-2-yl]acetamide (PubChem CID 110831860) has the molecular formula C16H16N6O6S and a molecular weight of 420.41 g/mol. Its IUPAC name is 2-(2-methyl-6-nitro-3-oxopyrido[3,2-b][1,4]oxazin-4-yl)-N-[5-(oxolan-2-yl)-1,3,4-thiadiazol-2-yl]acetamide.

Molecular Properties

Compound Name2-(2-methyl-6-nitro-3-oxopyrido[3,2-b][1,4]oxazin-4-yl)-N-[5-(oxolan-2-yl)-1,3,4-thiadiazol-2-yl]acetamide
PubChem CID110831860
Molecular FormulaC16H16N6O6S
Molecular Weight420.41 g/mol
Exact Mass420.09
IUPAC Name2-(2-methyl-6-nitro-3-oxopyrido[3,2-b][1,4]oxazin-4-yl)-N-[5-(oxolan-2-yl)-1,3,4-thiadiazol-2-yl]acetamide
SMILESCC1Oc2ccc([N+](=O)[O-])nc2N(CC(=O)Nc2nnc(C3CCCO3)s2)C1=O
InChIInChI=1S/C16H16N6O6S/c1-8-15(24)21(13-9(28-8)4-5-11(17-13)22(25)26)7-12(23)18-16-20-19-14(29-16)10-3-2-6-27-10/h4-5,8,10H,2-3,6-7H2,1H3,(H,18,20,23)
InChIKeyGFOUVHXGTRIZIV-UHFFFAOYSA-N
XLogP1.45
TPSA149.68 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.41
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(1,3-dioxoisoindol-2-yl)-N-[5-(oxolan-2-yl)-1,3,4-thiadiazol-2-yl]acetamide
CID 2959424
2-(2-methyl-6-nitro-3-oxopyrido[3,2-b][1,4]oxazin-4-yl)-N-(4-sulfamoylphenyl)acetamide
CID 110831873
N-[4-[2-(2-methyl-6-nitro-3-oxopyrido[3,2-b][1,4]oxazin-4-yl)acetyl]phenyl]acetamide
CID 110831878
N-(2,4-dimethoxyphenyl)-2-(2-methyl-6-nitro-3-oxopyrido[3,2-b][1,4]oxazin-4-yl)acetamide
CID 110831814
2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[5-(oxolan-2-yl)-1,3,4-thiadiazol-2-yl]acetamide
CID 56761808
2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[5-(oxolan-2-yl)-1,3,4-thiadiazol-2-yl]acetamide
CID 56761190
2-(2,2-dimethyl-6-nitro-3-oxopyrido[3,2-b][1,4]oxazin-4-yl)-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)acetamide
CID 110832015
N-[5-(oxolan-2-yl)-1,3,4-thiadiazol-2-yl]pentanamide
CID 19183928
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(2-methyl-6-nitro-3-oxopyrido[3,2-b][1,4]oxazin-4-yl)acetamide
CID 110831830
3-methyl-N-[5-(oxolan-2-yl)-1,3,4-thiadiazol-2-yl]butanamide
CID 16876533
3-methyl-N-[5-[(2R)-oxolan-2-yl]-1,3,4-thiadiazol-2-yl]butanamide
CID 42335736
N-[5-[(2R)-oxolan-2-yl]-1,3,4-thiadiazol-2-yl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide
CID 124842295

Frequently Asked Questions

What is the IUPAC name of 2-(2-methyl-6-nitro-3-oxopyrido[3,2-b][1,4]oxazin-4-yl)-N-[5-(oxolan-2-yl)-1,3,4-thiadiazol-2-yl]acetamide?
The IUPAC name of 2-(2-methyl-6-nitro-3-oxopyrido[3,2-b][1,4]oxazin-4-yl)-N-[5-(oxolan-2-yl)-1,3,4-thiadiazol-2-yl]acetamide (CID 110831860) is 2-(2-methyl-6-nitro-3-oxopyrido[3,2-b][1,4]oxazin-4-yl)-N-[5-(oxolan-2-yl)-1,3,4-thiadiazol-2-yl]acetamide.
What is the SMILES notation for 2-(2-methyl-6-nitro-3-oxopyrido[3,2-b][1,4]oxazin-4-yl)-N-[5-(oxolan-2-yl)-1,3,4-thiadiazol-2-yl]acetamide?
The canonical SMILES for 2-(2-methyl-6-nitro-3-oxopyrido[3,2-b][1,4]oxazin-4-yl)-N-[5-(oxolan-2-yl)-1,3,4-thiadiazol-2-yl]acetamide is CC1Oc2ccc([N+](=O)[O-])nc2N(CC(=O)Nc2nnc(C3CCCO3)s2)C1=O.
What is the InChIKey of 2-(2-methyl-6-nitro-3-oxopyrido[3,2-b][1,4]oxazin-4-yl)-N-[5-(oxolan-2-yl)-1,3,4-thiadiazol-2-yl]acetamide?
The InChIKey is GFOUVHXGTRIZIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N6O6S/c1-8-15(24)21(13-9(28-8)4-5-11(17-13)22(25)26)7-12(23)18-16-20-19-14(29-16)10-3-2-6-27-10/h4-5,8,10H,2-3,6-7H2,1H3,(H,18,20,23).
What are the key properties of 2-(2-methyl-6-nitro-3-oxopyrido[3,2-b][1,4]oxazin-4-yl)-N-[5-(oxolan-2-yl)-1,3,4-thiadiazol-2-yl]acetamide?
2-(2-methyl-6-nitro-3-oxopyrido[3,2-b][1,4]oxazin-4-yl)-N-[5-(oxolan-2-yl)-1,3,4-thiadiazol-2-yl]acetamide has a molecular weight of 420.41 g/mol, XLogP of 1.45, 5 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methyl-6-nitro-3-oxopyrido[3,2-b][1,4]oxazin-4-yl)-N-[5-(oxolan-2-yl)-1,3,4-thiadiazol-2-yl]acetamide is sourced from PubChem (CID 110831860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).