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

C20H23FN2O2 — CID 56750094

IUPAC(2,2-diethylcyclopropyl)-[3-(3-fluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]methanone
SMILESCCC1(CC)CC1C(=O)N1CCc2onc(-c3cccc(F)c3)c2C1
InChIInChI=1S/C20H23FN2O2/c1-3-20(4-2)11-16(20)19(24)23-9-8-17-15(12-23)18(22-25-17)13-6-5-7-14(21)10-13/h5-7,10,16H,3-4,8-9,11-12H2,1-2H3
InChIKeyWBDFUQYQUKVSCH-UHFFFAOYSA-N
MW342.41 g/mol
LogP4.19
Rot. Bonds4

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

(2,2-diethylcyclopropyl)-[3-(3-fluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]methanone (PubChem CID 56750094) has the molecular formula C20H23FN2O2 and a molecular weight of 342.41 g/mol. Its IUPAC name is (2,2-diethylcyclopropyl)-[3-(3-fluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]methanone.

Molecular Properties

Compound Name(2,2-diethylcyclopropyl)-[3-(3-fluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]methanone
PubChem CID56750094
Molecular FormulaC20H23FN2O2
Molecular Weight342.41 g/mol
Exact Mass342.17
IUPAC Name(2,2-diethylcyclopropyl)-[3-(3-fluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]methanone
SMILESCCC1(CC)CC1C(=O)N1CCc2onc(-c3cccc(F)c3)c2C1
InChIInChI=1S/C20H23FN2O2/c1-3-20(4-2)11-16(20)19(24)23-9-8-17-15(12-23)18(22-25-17)13-6-5-7-14(21)10-13/h5-7,10,16H,3-4,8-9,11-12H2,1-2H3
InChIKeyWBDFUQYQUKVSCH-UHFFFAOYSA-N
XLogP4.19
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.41
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2,2-diethylcyclopropyl)-[3-(3-fluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]methanone?
The IUPAC name of (2,2-diethylcyclopropyl)-[3-(3-fluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]methanone (CID 56750094) is (2,2-diethylcyclopropyl)-[3-(3-fluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]methanone.
What is the SMILES notation for (2,2-diethylcyclopropyl)-[3-(3-fluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]methanone?
The canonical SMILES for (2,2-diethylcyclopropyl)-[3-(3-fluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]methanone is CCC1(CC)CC1C(=O)N1CCc2onc(-c3cccc(F)c3)c2C1.
What is the InChIKey of (2,2-diethylcyclopropyl)-[3-(3-fluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]methanone?
The InChIKey is WBDFUQYQUKVSCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN2O2/c1-3-20(4-2)11-16(20)19(24)23-9-8-17-15(12-23)18(22-25-17)13-6-5-7-14(21)10-13/h5-7,10,16H,3-4,8-9,11-12H2,1-2H3.
What are the key properties of (2,2-diethylcyclopropyl)-[3-(3-fluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]methanone?
(2,2-diethylcyclopropyl)-[3-(3-fluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]methanone has a molecular weight of 342.41 g/mol, XLogP of 4.19, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,2-diethylcyclopropyl)-[3-(3-fluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]methanone is sourced from PubChem (CID 56750094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).