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

C19H21F2N3O3 — CID 131681566

IUPAC[5-[(2,4-difluorophenyl)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(Cc2ccc(F)cc2F)C3)C1
InChIInChI=1S/C19H21F2N3O3/c1-26-14-4-7-24(10-14)19(25)18-22-16-11-23(6-5-17(16)27-18)9-12-2-3-13(20)8-15(12)21/h2-3,8,14H,4-7,9-11H2,1H3
InChIKeyOMECCPUNYJCJSJ-UHFFFAOYSA-N
MW377.39 g/mol
LogP2.37
Rot. Bonds4

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

[5-[(2,4-difluorophenyl)methyl]-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-2-yl]-(3-methoxypyrrolidin-1-yl)methanone (PubChem CID 131681566) has the molecular formula C19H21F2N3O3 and a molecular weight of 377.39 g/mol. Its IUPAC name is [5-[(2,4-difluorophenyl)methyl]-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-2-yl]-(3-methoxypyrrolidin-1-yl)methanone.

Molecular Properties

Compound Name[5-[(2,4-difluorophenyl)methyl]-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-2-yl]-(3-methoxypyrrolidin-1-yl)methanone
PubChem CID131681566
Molecular FormulaC19H21F2N3O3
Molecular Weight377.39 g/mol
Exact Mass377.16
IUPAC Name[5-[(2,4-difluorophenyl)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(Cc2ccc(F)cc2F)C3)C1
InChIInChI=1S/C19H21F2N3O3/c1-26-14-4-7-24(10-14)19(25)18-22-16-11-23(6-5-17(16)27-18)9-12-2-3-13(20)8-15(12)21/h2-3,8,14H,4-7,9-11H2,1H3
InChIKeyOMECCPUNYJCJSJ-UHFFFAOYSA-N
XLogP2.37
TPSA58.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.39
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

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Frequently Asked Questions

What is the IUPAC name of [5-[(2,4-difluorophenyl)methyl]-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-2-yl]-(3-methoxypyrrolidin-1-yl)methanone?
The IUPAC name of [5-[(2,4-difluorophenyl)methyl]-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-2-yl]-(3-methoxypyrrolidin-1-yl)methanone (CID 131681566) is [5-[(2,4-difluorophenyl)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-[(2,4-difluorophenyl)methyl]-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-2-yl]-(3-methoxypyrrolidin-1-yl)methanone?
The canonical SMILES for [5-[(2,4-difluorophenyl)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(Cc2ccc(F)cc2F)C3)C1.
What is the InChIKey of [5-[(2,4-difluorophenyl)methyl]-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-2-yl]-(3-methoxypyrrolidin-1-yl)methanone?
The InChIKey is OMECCPUNYJCJSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21F2N3O3/c1-26-14-4-7-24(10-14)19(25)18-22-16-11-23(6-5-17(16)27-18)9-12-2-3-13(20)8-15(12)21/h2-3,8,14H,4-7,9-11H2,1H3.
What are the key properties of [5-[(2,4-difluorophenyl)methyl]-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-2-yl]-(3-methoxypyrrolidin-1-yl)methanone?
[5-[(2,4-difluorophenyl)methyl]-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-2-yl]-(3-methoxypyrrolidin-1-yl)methanone has a molecular weight of 377.39 g/mol, XLogP of 2.37, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[(2,4-difluorophenyl)methyl]-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-2-yl]-(3-methoxypyrrolidin-1-yl)methanone is sourced from PubChem (CID 131681566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).