4-[2-(2,3-difluorophenoxy)ethyl]morpholine;5-methyl-N-(3-methyl-1,2-oxazol-4-yl)oxolane-2-carboxamide

C22H29F2N3O5 — CID 166160807

IUPAC4-[2-(2,3-difluorophenoxy)ethyl]morpholine;5-methyl-N-(3-methyl-1,2-oxazol-4-yl)oxolane-2-carboxamide
SMILESCc1nocc1NC(=O)C1CCC(C)O1.Fc1cccc(OCCN2CCOCC2)c1F
InChIInChI=1S/C12H15F2NO2.C10H14N2O3/c13-10-2-1-3-11(12(10)14)17-9-6-15-4-7-16-8-5-15;1-6-3-4-9(15-6)10(13)11-8-5-14-12-7(8)2/h1-3H,4-9H2;5-6,9H,3-4H2,1-2H3,(H,11,13)
InChIKeyPAXVFGJJCYHGPX-UHFFFAOYSA-N
MW453.49 g/mol
LogP3.16
Rot. Bonds6

About 4-[2-(2,3-difluorophenoxy)ethyl]morpholine;5-methyl-N-(3-methyl-1,2-oxazol-4-yl)oxolane-2-carboxamide

4-[2-(2,3-difluorophenoxy)ethyl]morpholine;5-methyl-N-(3-methyl-1,2-oxazol-4-yl)oxolane-2-carboxamide (PubChem CID 166160807) has the molecular formula C22H29F2N3O5 and a molecular weight of 453.49 g/mol. Its IUPAC name is 4-[2-(2,3-difluorophenoxy)ethyl]morpholine;5-methyl-N-(3-methyl-1,2-oxazol-4-yl)oxolane-2-carboxamide.

Molecular Properties

Compound Name4-[2-(2,3-difluorophenoxy)ethyl]morpholine;5-methyl-N-(3-methyl-1,2-oxazol-4-yl)oxolane-2-carboxamide
PubChem CID166160807
Molecular FormulaC22H29F2N3O5
Molecular Weight453.49 g/mol
Exact Mass453.21
IUPAC Name4-[2-(2,3-difluorophenoxy)ethyl]morpholine;5-methyl-N-(3-methyl-1,2-oxazol-4-yl)oxolane-2-carboxamide
SMILESCc1nocc1NC(=O)C1CCC(C)O1.Fc1cccc(OCCN2CCOCC2)c1F
InChIInChI=1S/C12H15F2NO2.C10H14N2O3/c13-10-2-1-3-11(12(10)14)17-9-6-15-4-7-16-8-5-15;1-6-3-4-9(15-6)10(13)11-8-5-14-12-7(8)2/h1-3H,4-9H2;5-6,9H,3-4H2,1-2H3,(H,11,13)
InChIKeyPAXVFGJJCYHGPX-UHFFFAOYSA-N
XLogP3.16
TPSA86.06 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.49
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

6-[2-(2,3-difluorophenoxy)ethyl]-2-oxa-6-azaspiro[3.3]heptane;5-methyl-N-(3-methyl-1,2-oxazol-4-yl)oxolane-2-carboxamide
CID 166160417
1,2-difluoro-3-(2-methoxyethoxy)benzene;5-methyl-N-(1-methyl-6-oxo-3-pyridinyl)oxolane-2-carboxamide
CID 166160438
3-[(2,3-difluorophenoxy)methyl]-3-fluorooxetane;4-[(5-methyloxolane-2-carbonyl)amino]pyridine-2-carboxamide
CID 166159913
3-[(2,3-difluorophenoxy)methyl]oxolane;N-[6-(hydroxymethyl)-3-pyridinyl]-5-methyloxolane-2-carboxamide
CID 166159979
1,2-difluoro-3-methoxybenzene;5-methyl-N-[2-(methylamino)-4-pyridinyl]oxolane-2-carboxamide
CID 166161077
3-[(2,3-difluorophenoxy)methyl]-3-fluoro-1-methylazetidine;4-[(5-methyloxolane-2-carbonyl)amino]pyridine-2-carboxamide
CID 166159908
6-[2-(2,3-difluorophenoxy)ethyl]-2-oxa-6-azaspiro[3.3]heptane;4-[[(4S)-4,5-dimethyloxolane-2-carbonyl]amino]pyridine-2-carboxamide
CID 166159356
5-[(2,3-difluorophenoxy)methyl]-1-methylimidazole;4-[(5-methyloxolane-2-carbonyl)amino]pyridine-2-carboxamide
CID 166159394
1,2-difluoro-3-methoxybenzene;N-[6-(hydroxymethyl)pyrazin-2-yl]-5-methyloxolane-2-carboxamide
CID 166160830
4-[2-(2,3-difluoro-4-methylphenoxy)ethyl]morpholine
CID 123286014
1-cyclobutyloxy-2,3-difluorobenzene;formonitrile;4-[(5-methyloxolane-2-carbonyl)amino]pyridine-2-carboxamide
CID 166159830
1,2-difluoro-3-methoxybenzene;5-methyl-N-(2-methyl-4-pyridinyl)oxolane-2-carboxamide;6-oxa-3-azabicyclo[3.1.1]heptane-3-carbaldehyde
CID 166159460

Frequently Asked Questions

What is the IUPAC name of 4-[2-(2,3-difluorophenoxy)ethyl]morpholine;5-methyl-N-(3-methyl-1,2-oxazol-4-yl)oxolane-2-carboxamide?
The IUPAC name of 4-[2-(2,3-difluorophenoxy)ethyl]morpholine;5-methyl-N-(3-methyl-1,2-oxazol-4-yl)oxolane-2-carboxamide (CID 166160807) is 4-[2-(2,3-difluorophenoxy)ethyl]morpholine;5-methyl-N-(3-methyl-1,2-oxazol-4-yl)oxolane-2-carboxamide.
What is the SMILES notation for 4-[2-(2,3-difluorophenoxy)ethyl]morpholine;5-methyl-N-(3-methyl-1,2-oxazol-4-yl)oxolane-2-carboxamide?
The canonical SMILES for 4-[2-(2,3-difluorophenoxy)ethyl]morpholine;5-methyl-N-(3-methyl-1,2-oxazol-4-yl)oxolane-2-carboxamide is Cc1nocc1NC(=O)C1CCC(C)O1.Fc1cccc(OCCN2CCOCC2)c1F.
What is the InChIKey of 4-[2-(2,3-difluorophenoxy)ethyl]morpholine;5-methyl-N-(3-methyl-1,2-oxazol-4-yl)oxolane-2-carboxamide?
The InChIKey is PAXVFGJJCYHGPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F2NO2.C10H14N2O3/c13-10-2-1-3-11(12(10)14)17-9-6-15-4-7-16-8-5-15;1-6-3-4-9(15-6)10(13)11-8-5-14-12-7(8)2/h1-3H,4-9H2;5-6,9H,3-4H2,1-2H3,(H,11,13).
What are the key properties of 4-[2-(2,3-difluorophenoxy)ethyl]morpholine;5-methyl-N-(3-methyl-1,2-oxazol-4-yl)oxolane-2-carboxamide?
4-[2-(2,3-difluorophenoxy)ethyl]morpholine;5-methyl-N-(3-methyl-1,2-oxazol-4-yl)oxolane-2-carboxamide has a molecular weight of 453.49 g/mol, XLogP of 3.16, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2,3-difluorophenoxy)ethyl]morpholine;5-methyl-N-(3-methyl-1,2-oxazol-4-yl)oxolane-2-carboxamide is sourced from PubChem (CID 166160807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).