[3-(3-fluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]-(5-methoxy-3,4-dihydro-2H-chromen-3-yl)methanone

C23H21FN2O4 — CID 155985561

IUPAC[3-(3-fluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]-(5-methoxy-3,4-dihydro-2H-chromen-3-yl)methanone
SMILESCOc1cccc2c1CC(C(=O)N1CCc3onc(-c4cccc(F)c4)c3C1)CO2
InChIInChI=1S/C23H21FN2O4/c1-28-19-6-3-7-20-17(19)11-15(13-29-20)23(27)26-9-8-21-18(12-26)22(25-30-21)14-4-2-5-16(24)10-14/h2-7,10,15H,8-9,11-13H2,1H3
InChIKeyXOGWIIHBMVNQKZ-UHFFFAOYSA-N
MW408.43 g/mol
LogP3.63
Rot. Bonds3

About [3-(3-fluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]-(5-methoxy-3,4-dihydro-2H-chromen-3-yl)methanone

[3-(3-fluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]-(5-methoxy-3,4-dihydro-2H-chromen-3-yl)methanone (PubChem CID 155985561) has the molecular formula C23H21FN2O4 and a molecular weight of 408.43 g/mol. Its IUPAC name is [3-(3-fluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]-(5-methoxy-3,4-dihydro-2H-chromen-3-yl)methanone.

Molecular Properties

Compound Name[3-(3-fluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]-(5-methoxy-3,4-dihydro-2H-chromen-3-yl)methanone
PubChem CID155985561
Molecular FormulaC23H21FN2O4
Molecular Weight408.43 g/mol
Exact Mass408.15
IUPAC Name[3-(3-fluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]-(5-methoxy-3,4-dihydro-2H-chromen-3-yl)methanone
SMILESCOc1cccc2c1CC(C(=O)N1CCc3onc(-c4cccc(F)c4)c3C1)CO2
InChIInChI=1S/C23H21FN2O4/c1-28-19-6-3-7-20-17(19)11-15(13-29-20)23(27)26-9-8-21-18(12-26)22(25-30-21)14-4-2-5-16(24)10-14/h2-7,10,15H,8-9,11-13H2,1H3
InChIKeyXOGWIIHBMVNQKZ-UHFFFAOYSA-N
XLogP3.63
TPSA64.80 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.43
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [3-(3-fluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]-(5-methoxy-3,4-dihydro-2H-chromen-3-yl)methanone with MolForge

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Related Compounds

2-amino-1-[3-(3-fluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]-2-methylpropan-1-one
CID 56758823
[3-(3-fluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]-(thiadiazol-4-yl)methanone
CID 29184365
2-[[3-(3-fluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]methyl]-5-methoxypyran-4-one
CID 56744214
1-[3-(3-fluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]-2-morpholin-4-ylpropan-1-one
CID 46971865
(2S)-1-[3-(3-fluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]-2-morpholin-4-ylpropan-1-one
CID 51583735
(2-methoxy-4-methylphenyl)-[3-(3-methoxyphenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]methanone
CID 56760489
[3-(3-fluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]-[3-(4-fluorophenyl)-1-methylpyrazol-5-yl]methanone
CID 46970594
5-(3,4-dihydro-2H-chromene-3-carbonyl)-N,N-dimethyl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine-3-carboxamide
CID 72854974
5-[(3R)-3,4-dihydro-2H-chromene-3-carbonyl]-N,N-dimethyl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine-3-carboxamide
CID 97116376
(4-benzylpiperazin-1-yl)-(5-methoxy-3,4-dihydro-2H-chromen-3-yl)methanone;hydrochloride
CID 21472250
(3,3-dimethyl-2-methylidene-1-bicyclo[2.2.1]heptanyl)-[3-(3-fluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]methanone
CID 46972679
2-[[3-(3-fluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]methyl]benzoic acid
CID 56742227

Frequently Asked Questions

What is the IUPAC name of [3-(3-fluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]-(5-methoxy-3,4-dihydro-2H-chromen-3-yl)methanone?
The IUPAC name of [3-(3-fluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]-(5-methoxy-3,4-dihydro-2H-chromen-3-yl)methanone (CID 155985561) is [3-(3-fluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]-(5-methoxy-3,4-dihydro-2H-chromen-3-yl)methanone.
What is the SMILES notation for [3-(3-fluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]-(5-methoxy-3,4-dihydro-2H-chromen-3-yl)methanone?
The canonical SMILES for [3-(3-fluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]-(5-methoxy-3,4-dihydro-2H-chromen-3-yl)methanone is COc1cccc2c1CC(C(=O)N1CCc3onc(-c4cccc(F)c4)c3C1)CO2.
What is the InChIKey of [3-(3-fluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]-(5-methoxy-3,4-dihydro-2H-chromen-3-yl)methanone?
The InChIKey is XOGWIIHBMVNQKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21FN2O4/c1-28-19-6-3-7-20-17(19)11-15(13-29-20)23(27)26-9-8-21-18(12-26)22(25-30-21)14-4-2-5-16(24)10-14/h2-7,10,15H,8-9,11-13H2,1H3.
What are the key properties of [3-(3-fluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]-(5-methoxy-3,4-dihydro-2H-chromen-3-yl)methanone?
[3-(3-fluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]-(5-methoxy-3,4-dihydro-2H-chromen-3-yl)methanone has a molecular weight of 408.43 g/mol, XLogP of 3.63, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(3-fluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]-(5-methoxy-3,4-dihydro-2H-chromen-3-yl)methanone is sourced from PubChem (CID 155985561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).