4-(1,1-difluoroethyl)-5-ethyl-1,4-dihydropyrido[2,3-d][1,3]oxazin-2-one

C11H12F2N2O2 — CID 178042478

IUPAC4-(1,1-difluoroethyl)-5-ethyl-1,4-dihydropyrido[2,3-d][1,3]oxazin-2-one
SMILESCCc1ccnc2c1C(C(C)(F)F)OC(=O)N2
InChIInChI=1S/C11H12F2N2O2/c1-3-6-4-5-14-9-7(6)8(11(2,12)13)17-10(16)15-9/h4-5,8H,3H2,1-2H3,(H,14,15,16)
InChIKeyLOESYOQALYYQML-UHFFFAOYSA-N
MW242.22 g/mol
LogP2.90
Rot. Bonds2

About 4-(1,1-difluoroethyl)-5-ethyl-1,4-dihydropyrido[2,3-d][1,3]oxazin-2-one

4-(1,1-difluoroethyl)-5-ethyl-1,4-dihydropyrido[2,3-d][1,3]oxazin-2-one (PubChem CID 178042478) has the molecular formula C11H12F2N2O2 and a molecular weight of 242.22 g/mol. Its IUPAC name is 4-(1,1-difluoroethyl)-5-ethyl-1,4-dihydropyrido[2,3-d][1,3]oxazin-2-one.

Molecular Properties

Compound Name4-(1,1-difluoroethyl)-5-ethyl-1,4-dihydropyrido[2,3-d][1,3]oxazin-2-one
PubChem CID178042478
Molecular FormulaC11H12F2N2O2
Molecular Weight242.22 g/mol
Exact Mass242.09
IUPAC Name4-(1,1-difluoroethyl)-5-ethyl-1,4-dihydropyrido[2,3-d][1,3]oxazin-2-one
SMILESCCc1ccnc2c1C(C(C)(F)F)OC(=O)N2
InChIInChI=1S/C11H12F2N2O2/c1-3-6-4-5-14-9-7(6)8(11(2,12)13)17-10(16)15-9/h4-5,8H,3H2,1-2H3,(H,14,15,16)
InChIKeyLOESYOQALYYQML-UHFFFAOYSA-N
XLogP2.90
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.22
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-(1,1-difluoroethyl)-5-ethyl-1,4-dihydropyrido[2,3-d][1,3]oxazin-2-one with MolForge

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Related Compounds

ethyl 4-[(2-oxospiro[1H-pyrido[2,3-d][1,3]oxazine-4,4'-piperidine]-1'-yl)methyl]piperidine-1-carboxylate
CID 56953069
Ethyl 4-[(1'-methyl-2'-oxospiro[piperidine-4,4'-pyrido[2,3-d][1,3]oxazine]-1-yl)methyl]piperidine-1-carboxylate
CID 56953070
Carbamic acid, 2-pyridinyl-, phenylmethyl ester
CID 302978
1',2'-Dihydrospiro(azetidine-3,4'-pyrido(2,3-d)(1,3)oxazine)-2'-one; trifluoroacetic acid
CID 165946296
tert-butyl N-[4-(2,2,2-trifluoro-1-hydroxyethyl)-2-pyridinyl]carbamate
CID 101431417
Spiro[piperidine-4,4'-pyrido[2,3-d][1,3]oxazin]-2'(1'H)-one
CID 56763854
4-[(3-Trifluoromethyl-pyridin-2-ylamino)-methyl]-piperidine-1-carboxylic acid benzyl ester
CID 10111162
bis[4-(trifluoromethyl)-3-pyridinyl]methyl N-ethylcarbamate
CID 53809043
ethyl 2,6-difluoro-N-[[5-(trifluoromethyl)pyridin-2-yl]carbamoyl]benzenecarboximidate
CID 54006642
bis[4-(trifluoromethyl)-3-pyridinyl]methyl N-methylcarbamate
CID 54401850
(4-methyl-5'-trifluoromethyl-3,4,5,6-tetrahydro-2H-(1,2')bipyridinyl-4-yl)-carbamic acid benzyl ester
CID 66756558
tert-butyl N-[5-fluoro-4-(methoxymethyl)-2-pyridinyl]carbamate
CID 67282987

Frequently Asked Questions

What is the IUPAC name of 4-(1,1-difluoroethyl)-5-ethyl-1,4-dihydropyrido[2,3-d][1,3]oxazin-2-one?
The IUPAC name of 4-(1,1-difluoroethyl)-5-ethyl-1,4-dihydropyrido[2,3-d][1,3]oxazin-2-one (CID 178042478) is 4-(1,1-difluoroethyl)-5-ethyl-1,4-dihydropyrido[2,3-d][1,3]oxazin-2-one.
What is the SMILES notation for 4-(1,1-difluoroethyl)-5-ethyl-1,4-dihydropyrido[2,3-d][1,3]oxazin-2-one?
The canonical SMILES for 4-(1,1-difluoroethyl)-5-ethyl-1,4-dihydropyrido[2,3-d][1,3]oxazin-2-one is CCc1ccnc2c1C(C(C)(F)F)OC(=O)N2.
What is the InChIKey of 4-(1,1-difluoroethyl)-5-ethyl-1,4-dihydropyrido[2,3-d][1,3]oxazin-2-one?
The InChIKey is LOESYOQALYYQML-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F2N2O2/c1-3-6-4-5-14-9-7(6)8(11(2,12)13)17-10(16)15-9/h4-5,8H,3H2,1-2H3,(H,14,15,16).
What are the key properties of 4-(1,1-difluoroethyl)-5-ethyl-1,4-dihydropyrido[2,3-d][1,3]oxazin-2-one?
4-(1,1-difluoroethyl)-5-ethyl-1,4-dihydropyrido[2,3-d][1,3]oxazin-2-one has a molecular weight of 242.22 g/mol, XLogP of 2.90, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,1-difluoroethyl)-5-ethyl-1,4-dihydropyrido[2,3-d][1,3]oxazin-2-one is sourced from PubChem (CID 178042478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).