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

C18H16FN3O2S — CID 25459543

IUPAC(2,4-dimethyl-1,3-thiazol-5-yl)-[3-(3-fluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]methanone
SMILESCc1nc(C)c(C(=O)N2CCc3onc(-c4cccc(F)c4)c3C2)s1
InChIInChI=1S/C18H16FN3O2S/c1-10-17(25-11(2)20-10)18(23)22-7-6-15-14(9-22)16(21-24-15)12-4-3-5-13(19)8-12/h3-5,8H,6-7,9H2,1-2H3
InChIKeyFQRUOLKGBUWKRV-UHFFFAOYSA-N
MW357.41 g/mol
LogP3.75
Rot. Bonds2

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

(2,4-dimethyl-1,3-thiazol-5-yl)-[3-(3-fluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]methanone (PubChem CID 25459543) has the molecular formula C18H16FN3O2S and a molecular weight of 357.41 g/mol. Its IUPAC name is (2,4-dimethyl-1,3-thiazol-5-yl)-[3-(3-fluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]methanone.

Molecular Properties

Compound Name(2,4-dimethyl-1,3-thiazol-5-yl)-[3-(3-fluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]methanone
PubChem CID25459543
Molecular FormulaC18H16FN3O2S
Molecular Weight357.41 g/mol
Exact Mass357.09
IUPAC Name(2,4-dimethyl-1,3-thiazol-5-yl)-[3-(3-fluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]methanone
SMILESCc1nc(C)c(C(=O)N2CCc3onc(-c4cccc(F)c4)c3C2)s1
InChIInChI=1S/C18H16FN3O2S/c1-10-17(25-11(2)20-10)18(23)22-7-6-15-14(9-22)16(21-24-15)12-4-3-5-13(19)8-12/h3-5,8H,6-7,9H2,1-2H3
InChIKeyFQRUOLKGBUWKRV-UHFFFAOYSA-N
XLogP3.75
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

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Frequently Asked Questions

What is the IUPAC name of (2,4-dimethyl-1,3-thiazol-5-yl)-[3-(3-fluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]methanone?
The IUPAC name of (2,4-dimethyl-1,3-thiazol-5-yl)-[3-(3-fluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]methanone (CID 25459543) is (2,4-dimethyl-1,3-thiazol-5-yl)-[3-(3-fluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]methanone.
What is the SMILES notation for (2,4-dimethyl-1,3-thiazol-5-yl)-[3-(3-fluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]methanone?
The canonical SMILES for (2,4-dimethyl-1,3-thiazol-5-yl)-[3-(3-fluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]methanone is Cc1nc(C)c(C(=O)N2CCc3onc(-c4cccc(F)c4)c3C2)s1.
What is the InChIKey of (2,4-dimethyl-1,3-thiazol-5-yl)-[3-(3-fluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]methanone?
The InChIKey is FQRUOLKGBUWKRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FN3O2S/c1-10-17(25-11(2)20-10)18(23)22-7-6-15-14(9-22)16(21-24-15)12-4-3-5-13(19)8-12/h3-5,8H,6-7,9H2,1-2H3.
What are the key properties of (2,4-dimethyl-1,3-thiazol-5-yl)-[3-(3-fluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]methanone?
(2,4-dimethyl-1,3-thiazol-5-yl)-[3-(3-fluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]methanone has a molecular weight of 357.41 g/mol, XLogP of 3.75, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-dimethyl-1,3-thiazol-5-yl)-[3-(3-fluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]methanone is sourced from PubChem (CID 25459543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).