[2-[(3-fluorophenoxy)methyl]-1,3-oxazol-4-yl]-[(2R,6R)-6-methyl-2-prop-2-enyl-3,6-dihydro-2H-pyridin-1-yl]methanone

C20H21FN2O3 — CID 42378645

IUPAC[2-[(3-fluorophenoxy)methyl]-1,3-oxazol-4-yl]-[(2R,6R)-6-methyl-2-prop-2-enyl-3,6-dihydro-2H-pyridin-1-yl]methanone
SMILESC=CC[C@@H]1CC=C[C@@H](C)N1C(=O)c1coc(COc2cccc(F)c2)n1
InChIInChI=1S/C20H21FN2O3/c1-3-6-16-9-4-7-14(2)23(16)20(24)18-12-26-19(22-18)13-25-17-10-5-8-15(21)11-17/h3-5,7-8,10-12,14,16H,1,6,9,13H2,2H3/t14-,16-/m1/s1
InChIKeyDWRLHSYZKKGWQW-GDBMZVCRSA-N
MW356.40 g/mol
LogP4.13
Rot. Bonds6

About [2-[(3-fluorophenoxy)methyl]-1,3-oxazol-4-yl]-[(2R,6R)-6-methyl-2-prop-2-enyl-3,6-dihydro-2H-pyridin-1-yl]methanone

[2-[(3-fluorophenoxy)methyl]-1,3-oxazol-4-yl]-[(2R,6R)-6-methyl-2-prop-2-enyl-3,6-dihydro-2H-pyridin-1-yl]methanone (PubChem CID 42378645) has the molecular formula C20H21FN2O3 and a molecular weight of 356.40 g/mol. Its IUPAC name is [2-[(3-fluorophenoxy)methyl]-1,3-oxazol-4-yl]-[(2R,6R)-6-methyl-2-prop-2-enyl-3,6-dihydro-2H-pyridin-1-yl]methanone.

Molecular Properties

Compound Name[2-[(3-fluorophenoxy)methyl]-1,3-oxazol-4-yl]-[(2R,6R)-6-methyl-2-prop-2-enyl-3,6-dihydro-2H-pyridin-1-yl]methanone
PubChem CID42378645
Molecular FormulaC20H21FN2O3
Molecular Weight356.40 g/mol
Exact Mass356.15
IUPAC Name[2-[(3-fluorophenoxy)methyl]-1,3-oxazol-4-yl]-[(2R,6R)-6-methyl-2-prop-2-enyl-3,6-dihydro-2H-pyridin-1-yl]methanone
SMILESC=CC[C@@H]1CC=C[C@@H](C)N1C(=O)c1coc(COc2cccc(F)c2)n1
InChIInChI=1S/C20H21FN2O3/c1-3-6-16-9-4-7-14(2)23(16)20(24)18-12-26-19(22-18)13-25-17-10-5-8-15(21)11-17/h3-5,7-8,10-12,14,16H,1,6,9,13H2,2H3/t14-,16-/m1/s1
InChIKeyDWRLHSYZKKGWQW-GDBMZVCRSA-N
XLogP4.13
TPSA55.57 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.40
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze [2-[(3-fluorophenoxy)methyl]-1,3-oxazol-4-yl]-[(2R,6R)-6-methyl-2-prop-2-enyl-3,6-dihydro-2H-pyridin-1-yl]methanone with MolForge

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Related Compounds

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[(3S)-3-ethyl-3-(hydroxymethyl)piperidin-1-yl]-[2-[(3-fluorophenoxy)methyl]-1,3-oxazol-4-yl]methanone
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[3-ethyl-3-(hydroxymethyl)piperidin-1-yl]-[2-[(3-fluorophenoxy)methyl]-1,3-oxazol-4-yl]methanone
CID 56745012
N,N-diethyl-2-[(3-fluorophenoxy)methyl]-1,3-oxazole-4-carboxamide
CID 26403838
2-[(3-fluorophenoxy)methyl]-N-[[(2S)-1-methylpiperidin-2-yl]methyl]-1,3-oxazole-4-carboxamide
CID 26411631
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1-[2-[(3-fluorophenoxy)methyl]-1,3-oxazole-4-carbonyl]piperidine-3-carboxamide
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2-[2-[(3-fluorophenoxy)methyl]-1,3-oxazole-4-carbonyl]-8-methyl-1,3,4,6,7,9a-hexahydropyrazino[1,2-a]pyrazin-9-one
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2-[(3-fluorophenoxy)methyl]-N-[(3R,4R)-4-hydroxy-1-propan-2-ylpyrrolidin-3-yl]-1,3-oxazole-4-carboxamide
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Frequently Asked Questions

What is the IUPAC name of [2-[(3-fluorophenoxy)methyl]-1,3-oxazol-4-yl]-[(2R,6R)-6-methyl-2-prop-2-enyl-3,6-dihydro-2H-pyridin-1-yl]methanone?
The IUPAC name of [2-[(3-fluorophenoxy)methyl]-1,3-oxazol-4-yl]-[(2R,6R)-6-methyl-2-prop-2-enyl-3,6-dihydro-2H-pyridin-1-yl]methanone (CID 42378645) is [2-[(3-fluorophenoxy)methyl]-1,3-oxazol-4-yl]-[(2R,6R)-6-methyl-2-prop-2-enyl-3,6-dihydro-2H-pyridin-1-yl]methanone.
What is the SMILES notation for [2-[(3-fluorophenoxy)methyl]-1,3-oxazol-4-yl]-[(2R,6R)-6-methyl-2-prop-2-enyl-3,6-dihydro-2H-pyridin-1-yl]methanone?
The canonical SMILES for [2-[(3-fluorophenoxy)methyl]-1,3-oxazol-4-yl]-[(2R,6R)-6-methyl-2-prop-2-enyl-3,6-dihydro-2H-pyridin-1-yl]methanone is C=CC[C@@H]1CC=C[C@@H](C)N1C(=O)c1coc(COc2cccc(F)c2)n1.
What is the InChIKey of [2-[(3-fluorophenoxy)methyl]-1,3-oxazol-4-yl]-[(2R,6R)-6-methyl-2-prop-2-enyl-3,6-dihydro-2H-pyridin-1-yl]methanone?
The InChIKey is DWRLHSYZKKGWQW-GDBMZVCRSA-N. The full InChI is InChI=1S/C20H21FN2O3/c1-3-6-16-9-4-7-14(2)23(16)20(24)18-12-26-19(22-18)13-25-17-10-5-8-15(21)11-17/h3-5,7-8,10-12,14,16H,1,6,9,13H2,2H3/t14-,16-/m1/s1.
What are the key properties of [2-[(3-fluorophenoxy)methyl]-1,3-oxazol-4-yl]-[(2R,6R)-6-methyl-2-prop-2-enyl-3,6-dihydro-2H-pyridin-1-yl]methanone?
[2-[(3-fluorophenoxy)methyl]-1,3-oxazol-4-yl]-[(2R,6R)-6-methyl-2-prop-2-enyl-3,6-dihydro-2H-pyridin-1-yl]methanone has a molecular weight of 356.40 g/mol, XLogP of 4.13, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(3-fluorophenoxy)methyl]-1,3-oxazol-4-yl]-[(2R,6R)-6-methyl-2-prop-2-enyl-3,6-dihydro-2H-pyridin-1-yl]methanone is sourced from PubChem (CID 42378645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).