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

C19H18FN3O2S — CID 26320559

IUPAC[3-(2-fluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]-(2-propan-2-yl-1,3-thiazol-4-yl)methanone
SMILESCC(C)c1nc(C(=O)N2CCc3onc(-c4ccccc4F)c3C2)cs1
InChIInChI=1S/C19H18FN3O2S/c1-11(2)18-21-15(10-26-18)19(24)23-8-7-16-13(9-23)17(22-25-16)12-5-3-4-6-14(12)20/h3-6,10-11H,7-9H2,1-2H3
InChIKeyVKTASRBYNSWAQN-UHFFFAOYSA-N
MW371.44 g/mol
LogP4.26
Rot. Bonds3

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

[3-(2-fluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]-(2-propan-2-yl-1,3-thiazol-4-yl)methanone (PubChem CID 26320559) has the molecular formula C19H18FN3O2S and a molecular weight of 371.44 g/mol. Its IUPAC name is [3-(2-fluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]-(2-propan-2-yl-1,3-thiazol-4-yl)methanone.

Molecular Properties

Compound Name[3-(2-fluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]-(2-propan-2-yl-1,3-thiazol-4-yl)methanone
PubChem CID26320559
Molecular FormulaC19H18FN3O2S
Molecular Weight371.44 g/mol
Exact Mass371.11
IUPAC Name[3-(2-fluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]-(2-propan-2-yl-1,3-thiazol-4-yl)methanone
SMILESCC(C)c1nc(C(=O)N2CCc3onc(-c4ccccc4F)c3C2)cs1
InChIInChI=1S/C19H18FN3O2S/c1-11(2)18-21-15(10-26-18)19(24)23-8-7-16-13(9-23)17(22-25-16)12-5-3-4-6-14(12)20/h3-6,10-11H,7-9H2,1-2H3
InChIKeyVKTASRBYNSWAQN-UHFFFAOYSA-N
XLogP4.26
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.44
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

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Frequently Asked Questions

What is the IUPAC name of [3-(2-fluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]-(2-propan-2-yl-1,3-thiazol-4-yl)methanone?
The IUPAC name of [3-(2-fluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]-(2-propan-2-yl-1,3-thiazol-4-yl)methanone (CID 26320559) is [3-(2-fluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]-(2-propan-2-yl-1,3-thiazol-4-yl)methanone.
What is the SMILES notation for [3-(2-fluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]-(2-propan-2-yl-1,3-thiazol-4-yl)methanone?
The canonical SMILES for [3-(2-fluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]-(2-propan-2-yl-1,3-thiazol-4-yl)methanone is CC(C)c1nc(C(=O)N2CCc3onc(-c4ccccc4F)c3C2)cs1.
What is the InChIKey of [3-(2-fluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]-(2-propan-2-yl-1,3-thiazol-4-yl)methanone?
The InChIKey is VKTASRBYNSWAQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN3O2S/c1-11(2)18-21-15(10-26-18)19(24)23-8-7-16-13(9-23)17(22-25-16)12-5-3-4-6-14(12)20/h3-6,10-11H,7-9H2,1-2H3.
What are the key properties of [3-(2-fluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]-(2-propan-2-yl-1,3-thiazol-4-yl)methanone?
[3-(2-fluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]-(2-propan-2-yl-1,3-thiazol-4-yl)methanone has a molecular weight of 371.44 g/mol, XLogP of 4.26, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2-fluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]-(2-propan-2-yl-1,3-thiazol-4-yl)methanone is sourced from PubChem (CID 26320559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).