5-[2-(difluoromethoxy)ethyl]-N-[(3R)-6-(2,2,2-trifluoroethoxymethyl)-3,4-dihydro-2H-chromen-3-yl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide

C22H24F5N3O5 — CID 151231201

IUPAC5-[2-(difluoromethoxy)ethyl]-N-[(3R)-6-(2,2,2-trifluoroethoxymethyl)-3,4-dihydro-2H-chromen-3-yl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide
SMILESO=C(N[C@H]1COc2ccc(COCC(F)(F)F)cc2C1)c1cc2n(n1)CCC(CCOC(F)F)O2
InChIInChI=1S/C22H24F5N3O5/c23-21(24)33-6-4-16-3-5-30-19(35-16)9-17(29-30)20(31)28-15-8-14-7-13(1-2-18(14)34-11-15)10-32-12-22(25,26)27/h1-2,7,9,15-16,21H,3-6,8,10-12H2,(H,28,31)/t15-,16?/m1/s1
InChIKeyNOIDDPBWKANUCY-AAFJCEBUSA-N
MW505.44 g/mol
LogP3.48
Rot. Bonds9

About 5-[2-(difluoromethoxy)ethyl]-N-[(3R)-6-(2,2,2-trifluoroethoxymethyl)-3,4-dihydro-2H-chromen-3-yl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide

5-[2-(difluoromethoxy)ethyl]-N-[(3R)-6-(2,2,2-trifluoroethoxymethyl)-3,4-dihydro-2H-chromen-3-yl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide (PubChem CID 151231201) has the molecular formula C22H24F5N3O5 and a molecular weight of 505.44 g/mol. Its IUPAC name is 5-[2-(difluoromethoxy)ethyl]-N-[(3R)-6-(2,2,2-trifluoroethoxymethyl)-3,4-dihydro-2H-chromen-3-yl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide.

Molecular Properties

Compound Name5-[2-(difluoromethoxy)ethyl]-N-[(3R)-6-(2,2,2-trifluoroethoxymethyl)-3,4-dihydro-2H-chromen-3-yl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide
PubChem CID151231201
Molecular FormulaC22H24F5N3O5
Molecular Weight505.44 g/mol
Exact Mass505.16
IUPAC Name5-[2-(difluoromethoxy)ethyl]-N-[(3R)-6-(2,2,2-trifluoroethoxymethyl)-3,4-dihydro-2H-chromen-3-yl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide
SMILESO=C(N[C@H]1COc2ccc(COCC(F)(F)F)cc2C1)c1cc2n(n1)CCC(CCOC(F)F)O2
InChIInChI=1S/C22H24F5N3O5/c23-21(24)33-6-4-16-3-5-30-19(35-16)9-17(29-30)20(31)28-15-8-14-7-13(1-2-18(14)34-11-15)10-32-12-22(25,26)27/h1-2,7,9,15-16,21H,3-6,8,10-12H2,(H,28,31)/t15-,16?/m1/s1
InChIKeyNOIDDPBWKANUCY-AAFJCEBUSA-N
XLogP3.48
TPSA83.84 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500505.44
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 5-[2-(difluoromethoxy)ethyl]-N-[(3R)-6-(2,2,2-trifluoroethoxymethyl)-3,4-dihydro-2H-chromen-3-yl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-[2-(difluoromethoxy)ethyl]-N-[(3R)-6-(2,2,2-trifluoroethoxymethyl)-3,4-dihydro-2H-chromen-3-yl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide?
The IUPAC name of 5-[2-(difluoromethoxy)ethyl]-N-[(3R)-6-(2,2,2-trifluoroethoxymethyl)-3,4-dihydro-2H-chromen-3-yl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide (CID 151231201) is 5-[2-(difluoromethoxy)ethyl]-N-[(3R)-6-(2,2,2-trifluoroethoxymethyl)-3,4-dihydro-2H-chromen-3-yl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide.
What is the SMILES notation for 5-[2-(difluoromethoxy)ethyl]-N-[(3R)-6-(2,2,2-trifluoroethoxymethyl)-3,4-dihydro-2H-chromen-3-yl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide?
The canonical SMILES for 5-[2-(difluoromethoxy)ethyl]-N-[(3R)-6-(2,2,2-trifluoroethoxymethyl)-3,4-dihydro-2H-chromen-3-yl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide is O=C(N[C@H]1COc2ccc(COCC(F)(F)F)cc2C1)c1cc2n(n1)CCC(CCOC(F)F)O2.
What is the InChIKey of 5-[2-(difluoromethoxy)ethyl]-N-[(3R)-6-(2,2,2-trifluoroethoxymethyl)-3,4-dihydro-2H-chromen-3-yl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide?
The InChIKey is NOIDDPBWKANUCY-AAFJCEBUSA-N. The full InChI is InChI=1S/C22H24F5N3O5/c23-21(24)33-6-4-16-3-5-30-19(35-16)9-17(29-30)20(31)28-15-8-14-7-13(1-2-18(14)34-11-15)10-32-12-22(25,26)27/h1-2,7,9,15-16,21H,3-6,8,10-12H2,(H,28,31)/t15-,16?/m1/s1.
What are the key properties of 5-[2-(difluoromethoxy)ethyl]-N-[(3R)-6-(2,2,2-trifluoroethoxymethyl)-3,4-dihydro-2H-chromen-3-yl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide?
5-[2-(difluoromethoxy)ethyl]-N-[(3R)-6-(2,2,2-trifluoroethoxymethyl)-3,4-dihydro-2H-chromen-3-yl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide has a molecular weight of 505.44 g/mol, XLogP of 3.48, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(difluoromethoxy)ethyl]-N-[(3R)-6-(2,2,2-trifluoroethoxymethyl)-3,4-dihydro-2H-chromen-3-yl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide is sourced from PubChem (CID 151231201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).