5-(difluoromethyl)-N-[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

C20H20F5N3O4 — CID 167413953

IUPAC5-(difluoromethyl)-N-[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(NC1COc2ccc(COCC(F)(F)F)cc2C1)c1cc2n(n1)CCC(C(F)F)O2
InChIInChI=1S/C20H20F5N3O4/c21-18(22)16-3-4-28-17(32-16)7-14(27-28)19(29)26-13-6-12-5-11(1-2-15(12)31-9-13)8-30-10-20(23,24)25/h1-2,5,7,13,16,18H,3-4,6,8-10H2,(H,26,29)
InChIKeyLIHVHQMVVVQMJV-UHFFFAOYSA-N
MW461.39 g/mol
LogP3.11
Rot. Bonds6

About 5-(difluoromethyl)-N-[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-(difluoromethyl)-N-[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 167413953) has the molecular formula C20H20F5N3O4 and a molecular weight of 461.39 g/mol. Its IUPAC name is 5-(difluoromethyl)-N-[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-(difluoromethyl)-N-[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 CID167413953
Molecular FormulaC20H20F5N3O4
Molecular Weight461.39 g/mol
Exact Mass461.14
IUPAC Name5-(difluoromethyl)-N-[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(NC1COc2ccc(COCC(F)(F)F)cc2C1)c1cc2n(n1)CCC(C(F)F)O2
InChIInChI=1S/C20H20F5N3O4/c21-18(22)16-3-4-28-17(32-16)7-14(27-28)19(29)26-13-6-12-5-11(1-2-15(12)31-9-13)8-30-10-20(23,24)25/h1-2,5,7,13,16,18H,3-4,6,8-10H2,(H,26,29)
InChIKeyLIHVHQMVVVQMJV-UHFFFAOYSA-N
XLogP3.11
TPSA74.61 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.39
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5-(difluoromethyl)-N-[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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Related Compounds

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
N-[(3R)-6-[2-(difluoromethoxy)ethyl]-3,4-dihydro-2H-chromen-3-yl]-5-(difluoromethoxymethyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide
CID 163805322
N-[6-[2-(difluoromethoxy)ethyl]-3,4-dihydro-2H-chromen-3-yl]-5-(difluoromethoxymethyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide
CID 167413975
2-[2-(2,2-difluoroethoxy)ethyl]-N-[(3R)-6-(2,2-difluoroethyl)-3,4-dihydro-2H-chromen-3-yl]-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide
CID 177272969
N-(6-cyano-3,4-dihydro-2H-chromen-3-yl)-5-[2-(difluoromethoxy)ethyl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide
CID 167414003
6-ethyl-6-hydroxy-N-[(3R)-6-(trifluoromethyl)-3,4-dihydro-2H-chromen-3-yl]-7,8-dihydro-5H-pyrazolo[5,1-b][1,3]oxazepine-2-carboxamide
CID 177272907
N-[(3R)-6-cyano-3,4-dihydro-2H-chromen-3-yl]-2-(cyclopropylmethoxymethyl)-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide
CID 177272967
5-ethyl-N-[(3R)-6-(2-methoxypyrimidin-5-yl)-3,4-dihydro-2H-chromen-3-yl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide
CID 152719382
5-(2-cyclobutyloxyethyl)-N-[6-(ethoxymethyl)-3,4-dihydro-2H-chromen-3-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxamide
CID 167414256
6-(2,2,2-trifluoroethoxymethyl)-3,4-dihydro-2H-chromen-3-amine
CID 146450869
N-[(3R)-6-cyano-3,4-dihydro-2H-chromen-3-yl]-5-(2-methoxy-4-pyridinyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide
CID 151887078
5-(2-cyclopropylethyl)-N-[(3R)-6-(trifluoromethyl)-3,4-dihydro-2H-chromen-3-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxamide
CID 167414323

Frequently Asked Questions

What is the IUPAC name of 5-(difluoromethyl)-N-[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-(difluoromethyl)-N-[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 167413953) is 5-(difluoromethyl)-N-[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-(difluoromethyl)-N-[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-(difluoromethyl)-N-[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(NC1COc2ccc(COCC(F)(F)F)cc2C1)c1cc2n(n1)CCC(C(F)F)O2.
What is the InChIKey of 5-(difluoromethyl)-N-[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 LIHVHQMVVVQMJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20F5N3O4/c21-18(22)16-3-4-28-17(32-16)7-14(27-28)19(29)26-13-6-12-5-11(1-2-15(12)31-9-13)8-30-10-20(23,24)25/h1-2,5,7,13,16,18H,3-4,6,8-10H2,(H,26,29).
What are the key properties of 5-(difluoromethyl)-N-[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-(difluoromethyl)-N-[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 461.39 g/mol, XLogP of 3.11, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(difluoromethyl)-N-[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 167413953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).