4-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-1,3-thiazol-2-yl]methyl]-2,2-dimethylpyrido[3,2-b][1,4]oxazin-3-one

C16H13F2N5O3S — CID 156507731

IUPAC4-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-1,3-thiazol-2-yl]methyl]-2,2-dimethylpyrido[3,2-b][1,4]oxazin-3-one
SMILESCC1(C)Oc2cccnc2N(Cc2ncc(-c3nnc(C(F)F)o3)s2)C1=O
InChIInChI=1S/C16H13F2N5O3S/c1-16(2)15(24)23(12-8(26-16)4-3-5-19-12)7-10-20-6-9(27-10)13-21-22-14(25-13)11(17)18/h3-6,11H,7H2,1-2H3
InChIKeyJAVAYLLPYUOHGD-UHFFFAOYSA-N
MW393.38 g/mol
LogP3.23
Rot. Bonds4

About 4-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-1,3-thiazol-2-yl]methyl]-2,2-dimethylpyrido[3,2-b][1,4]oxazin-3-one

4-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-1,3-thiazol-2-yl]methyl]-2,2-dimethylpyrido[3,2-b][1,4]oxazin-3-one (PubChem CID 156507731) has the molecular formula C16H13F2N5O3S and a molecular weight of 393.38 g/mol. Its IUPAC name is 4-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-1,3-thiazol-2-yl]methyl]-2,2-dimethylpyrido[3,2-b][1,4]oxazin-3-one.

Molecular Properties

Compound Name4-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-1,3-thiazol-2-yl]methyl]-2,2-dimethylpyrido[3,2-b][1,4]oxazin-3-one
PubChem CID156507731
Molecular FormulaC16H13F2N5O3S
Molecular Weight393.38 g/mol
Exact Mass393.07
IUPAC Name4-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-1,3-thiazol-2-yl]methyl]-2,2-dimethylpyrido[3,2-b][1,4]oxazin-3-one
SMILESCC1(C)Oc2cccnc2N(Cc2ncc(-c3nnc(C(F)F)o3)s2)C1=O
InChIInChI=1S/C16H13F2N5O3S/c1-16(2)15(24)23(12-8(26-16)4-3-5-19-12)7-10-20-6-9(27-10)13-21-22-14(25-13)11(17)18/h3-6,11H,7H2,1-2H3
InChIKeyJAVAYLLPYUOHGD-UHFFFAOYSA-N
XLogP3.23
TPSA94.24 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.38
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 4-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-1,3-thiazol-2-yl]methyl]-2,2-dimethylpyrido[3,2-b][1,4]oxazin-3-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-1,3-thiazol-2-yl]methyl]-2,2-dimethylpyrido[3,2-b][1,4]oxazin-3-one?
The IUPAC name of 4-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-1,3-thiazol-2-yl]methyl]-2,2-dimethylpyrido[3,2-b][1,4]oxazin-3-one (CID 156507731) is 4-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-1,3-thiazol-2-yl]methyl]-2,2-dimethylpyrido[3,2-b][1,4]oxazin-3-one.
What is the SMILES notation for 4-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-1,3-thiazol-2-yl]methyl]-2,2-dimethylpyrido[3,2-b][1,4]oxazin-3-one?
The canonical SMILES for 4-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-1,3-thiazol-2-yl]methyl]-2,2-dimethylpyrido[3,2-b][1,4]oxazin-3-one is CC1(C)Oc2cccnc2N(Cc2ncc(-c3nnc(C(F)F)o3)s2)C1=O.
What is the InChIKey of 4-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-1,3-thiazol-2-yl]methyl]-2,2-dimethylpyrido[3,2-b][1,4]oxazin-3-one?
The InChIKey is JAVAYLLPYUOHGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F2N5O3S/c1-16(2)15(24)23(12-8(26-16)4-3-5-19-12)7-10-20-6-9(27-10)13-21-22-14(25-13)11(17)18/h3-6,11H,7H2,1-2H3.
What are the key properties of 4-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-1,3-thiazol-2-yl]methyl]-2,2-dimethylpyrido[3,2-b][1,4]oxazin-3-one?
4-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-1,3-thiazol-2-yl]methyl]-2,2-dimethylpyrido[3,2-b][1,4]oxazin-3-one has a molecular weight of 393.38 g/mol, XLogP of 3.23, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-1,3-thiazol-2-yl]methyl]-2,2-dimethylpyrido[3,2-b][1,4]oxazin-3-one is sourced from PubChem (CID 156507731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).