N-[(2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-4-yl)methyl]-1,3-oxazole-5-carboxamide;6-(trifluoromethyl)pyrazin-2-amine

C18H22F3N5O5 — CID 171557449

IUPACN-[(2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-4-yl)methyl]-1,3-oxazole-5-carboxamide;6-(trifluoromethyl)pyrazin-2-amine
SMILESCC1(C)OC2CCOC(CNC(=O)c3cnco3)C2O1.Nc1cncc(C(F)(F)F)n1
InChIInChI=1S/C13H18N2O5.C5H4F3N3/c1-13(2)19-8-3-4-17-9(11(8)20-13)6-15-12(16)10-5-14-7-18-10;6-5(7,8)3-1-10-2-4(9)11-3/h5,7-9,11H,3-4,6H2,1-2H3,(H,15,16);1-2H,(H2,9,11)
InChIKeySXDLDEMCRMGUGY-UHFFFAOYSA-N
MW445.40 g/mol
LogP1.79
Rot. Bonds3

About N-[(2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-4-yl)methyl]-1,3-oxazole-5-carboxamide;6-(trifluoromethyl)pyrazin-2-amine

N-[(2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-4-yl)methyl]-1,3-oxazole-5-carboxamide;6-(trifluoromethyl)pyrazin-2-amine (PubChem CID 171557449) has the molecular formula C18H22F3N5O5 and a molecular weight of 445.40 g/mol. Its IUPAC name is N-[(2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-4-yl)methyl]-1,3-oxazole-5-carboxamide;6-(trifluoromethyl)pyrazin-2-amine.

Molecular Properties

Compound NameN-[(2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-4-yl)methyl]-1,3-oxazole-5-carboxamide;6-(trifluoromethyl)pyrazin-2-amine
PubChem CID171557449
Molecular FormulaC18H22F3N5O5
Molecular Weight445.40 g/mol
Exact Mass445.16
IUPAC NameN-[(2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-4-yl)methyl]-1,3-oxazole-5-carboxamide;6-(trifluoromethyl)pyrazin-2-amine
SMILESCC1(C)OC2CCOC(CNC(=O)c3cnco3)C2O1.Nc1cncc(C(F)(F)F)n1
InChIInChI=1S/C13H18N2O5.C5H4F3N3/c1-13(2)19-8-3-4-17-9(11(8)20-13)6-15-12(16)10-5-14-7-18-10;6-5(7,8)3-1-10-2-4(9)11-3/h5,7-9,11H,3-4,6H2,1-2H3,(H,15,16);1-2H,(H2,9,11)
InChIKeySXDLDEMCRMGUGY-UHFFFAOYSA-N
XLogP1.79
TPSA134.62 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.40
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze N-[(2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-4-yl)methyl]-1,3-oxazole-5-carboxamide;6-(trifluoromethyl)pyrazin-2-amine with MolForge

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Related Compounds

N-[[(2R,3R,4R,5S)-3,4-dihydroxy-5-[[6-(trifluoromethyl)pyrazin-2-yl]amino]oxan-2-yl]methyl]-1,3-oxazole-5-carboxamide
CID 171556685
N-[[(3aS,4R,7S,7aR)-2,2-dimethyl-7-[[6-(trifluoromethyl)pyrazin-2-yl]amino]-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-4-yl]methyl]-1H-imidazole-5-carboxamide
CID 171557184
N-[(3,4-dihydroxyoxan-2-yl)methyl]-1,3-oxazole-5-carboxamide;6-(trifluoromethyl)pyrazin-2-amine
CID 171557410
N-[(2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-4-yl)methyl]pyrazine-2-carboxamide;6-(trifluoromethyl)pyrazin-2-amine
CID 171557760
N-[[(3aS,4R,7S,7aR)-2,2-dimethyl-7-[[6-(trifluoromethyl)pyrazin-2-yl]amino]-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-4-yl]methyl]pyrazine-2-carboxamide
CID 171557821
N-[[(3aS,4R,7S,7aR)-2,2-dimethyl-7-[[6-(trifluoromethyl)pyrazin-2-yl]amino]-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-4-yl]methyl]-1,3-oxazole-5-carboxamide
CID 171558352

Frequently Asked Questions

What is the IUPAC name of N-[(2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-4-yl)methyl]-1,3-oxazole-5-carboxamide;6-(trifluoromethyl)pyrazin-2-amine?
The IUPAC name of N-[(2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-4-yl)methyl]-1,3-oxazole-5-carboxamide;6-(trifluoromethyl)pyrazin-2-amine (CID 171557449) is N-[(2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-4-yl)methyl]-1,3-oxazole-5-carboxamide;6-(trifluoromethyl)pyrazin-2-amine.
What is the SMILES notation for N-[(2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-4-yl)methyl]-1,3-oxazole-5-carboxamide;6-(trifluoromethyl)pyrazin-2-amine?
The canonical SMILES for N-[(2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-4-yl)methyl]-1,3-oxazole-5-carboxamide;6-(trifluoromethyl)pyrazin-2-amine is CC1(C)OC2CCOC(CNC(=O)c3cnco3)C2O1.Nc1cncc(C(F)(F)F)n1.
What is the InChIKey of N-[(2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-4-yl)methyl]-1,3-oxazole-5-carboxamide;6-(trifluoromethyl)pyrazin-2-amine?
The InChIKey is SXDLDEMCRMGUGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O5.C5H4F3N3/c1-13(2)19-8-3-4-17-9(11(8)20-13)6-15-12(16)10-5-14-7-18-10;6-5(7,8)3-1-10-2-4(9)11-3/h5,7-9,11H,3-4,6H2,1-2H3,(H,15,16);1-2H,(H2,9,11).
What are the key properties of N-[(2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-4-yl)methyl]-1,3-oxazole-5-carboxamide;6-(trifluoromethyl)pyrazin-2-amine?
N-[(2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-4-yl)methyl]-1,3-oxazole-5-carboxamide;6-(trifluoromethyl)pyrazin-2-amine has a molecular weight of 445.40 g/mol, XLogP of 1.79, 3 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-4-yl)methyl]-1,3-oxazole-5-carboxamide;6-(trifluoromethyl)pyrazin-2-amine is sourced from PubChem (CID 171557449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).