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

C19H22FN3O3 — CID 131681134

IUPAC[5-[(2-fluorophenyl)methyl]-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-2-yl]-(3-methoxypyrrolidin-1-yl)methanone
SMILESCOC1CCN(C(=O)c2nc3c(o2)CCN(Cc2ccccc2F)C3)C1
InChIInChI=1S/C19H22FN3O3/c1-25-14-6-9-23(11-14)19(24)18-21-16-12-22(8-7-17(16)26-18)10-13-4-2-3-5-15(13)20/h2-5,14H,6-12H2,1H3
InChIKeyQJOABMKZTGOOEJ-UHFFFAOYSA-N
MW359.40 g/mol
LogP2.23
Rot. Bonds4

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

[5-[(2-fluorophenyl)methyl]-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-2-yl]-(3-methoxypyrrolidin-1-yl)methanone (PubChem CID 131681134) has the molecular formula C19H22FN3O3 and a molecular weight of 359.40 g/mol. Its IUPAC name is [5-[(2-fluorophenyl)methyl]-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-2-yl]-(3-methoxypyrrolidin-1-yl)methanone.

Molecular Properties

Compound Name[5-[(2-fluorophenyl)methyl]-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-2-yl]-(3-methoxypyrrolidin-1-yl)methanone
PubChem CID131681134
Molecular FormulaC19H22FN3O3
Molecular Weight359.40 g/mol
Exact Mass359.16
IUPAC Name[5-[(2-fluorophenyl)methyl]-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-2-yl]-(3-methoxypyrrolidin-1-yl)methanone
SMILESCOC1CCN(C(=O)c2nc3c(o2)CCN(Cc2ccccc2F)C3)C1
InChIInChI=1S/C19H22FN3O3/c1-25-14-6-9-23(11-14)19(24)18-21-16-12-22(8-7-17(16)26-18)10-13-4-2-3-5-15(13)20/h2-5,14H,6-12H2,1H3
InChIKeyQJOABMKZTGOOEJ-UHFFFAOYSA-N
XLogP2.23
TPSA58.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.40
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [5-[(2-fluorophenyl)methyl]-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-2-yl]-(3-methoxypyrrolidin-1-yl)methanone?
The IUPAC name of [5-[(2-fluorophenyl)methyl]-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-2-yl]-(3-methoxypyrrolidin-1-yl)methanone (CID 131681134) is [5-[(2-fluorophenyl)methyl]-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-2-yl]-(3-methoxypyrrolidin-1-yl)methanone.
What is the SMILES notation for [5-[(2-fluorophenyl)methyl]-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-2-yl]-(3-methoxypyrrolidin-1-yl)methanone?
The canonical SMILES for [5-[(2-fluorophenyl)methyl]-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-2-yl]-(3-methoxypyrrolidin-1-yl)methanone is COC1CCN(C(=O)c2nc3c(o2)CCN(Cc2ccccc2F)C3)C1.
What is the InChIKey of [5-[(2-fluorophenyl)methyl]-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-2-yl]-(3-methoxypyrrolidin-1-yl)methanone?
The InChIKey is QJOABMKZTGOOEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FN3O3/c1-25-14-6-9-23(11-14)19(24)18-21-16-12-22(8-7-17(16)26-18)10-13-4-2-3-5-15(13)20/h2-5,14H,6-12H2,1H3.
What are the key properties of [5-[(2-fluorophenyl)methyl]-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-2-yl]-(3-methoxypyrrolidin-1-yl)methanone?
[5-[(2-fluorophenyl)methyl]-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-2-yl]-(3-methoxypyrrolidin-1-yl)methanone has a molecular weight of 359.40 g/mol, XLogP of 2.23, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[(2-fluorophenyl)methyl]-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-2-yl]-(3-methoxypyrrolidin-1-yl)methanone is sourced from PubChem (CID 131681134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).