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

C19H18FN3O2S — CID 25292951

IUPAC1-[3-(2-fluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]-3-(4-methyl-1,3-thiazol-5-yl)propan-1-one
SMILESCc1ncsc1CCC(=O)N1CCc2onc(-c3ccccc3F)c2C1
InChIInChI=1S/C19H18FN3O2S/c1-12-17(26-11-21-12)6-7-18(24)23-9-8-16-14(10-23)19(22-25-16)13-4-2-3-5-15(13)20/h2-5,11H,6-10H2,1H3
InChIKeyZYZFRXJIYDEBCX-UHFFFAOYSA-N
MW371.44 g/mol
LogP3.76
Rot. Bonds4

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

1-[3-(2-fluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]-3-(4-methyl-1,3-thiazol-5-yl)propan-1-one (PubChem CID 25292951) has the molecular formula C19H18FN3O2S and a molecular weight of 371.44 g/mol. Its IUPAC name is 1-[3-(2-fluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]-3-(4-methyl-1,3-thiazol-5-yl)propan-1-one.

Molecular Properties

Compound Name1-[3-(2-fluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]-3-(4-methyl-1,3-thiazol-5-yl)propan-1-one
PubChem CID25292951
Molecular FormulaC19H18FN3O2S
Molecular Weight371.44 g/mol
Exact Mass371.11
IUPAC Name1-[3-(2-fluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]-3-(4-methyl-1,3-thiazol-5-yl)propan-1-one
SMILESCc1ncsc1CCC(=O)N1CCc2onc(-c3ccccc3F)c2C1
InChIInChI=1S/C19H18FN3O2S/c1-12-17(26-11-21-12)6-7-18(24)23-9-8-16-14(10-23)19(22-25-16)13-4-2-3-5-15(13)20/h2-5,11H,6-10H2,1H3
InChIKeyZYZFRXJIYDEBCX-UHFFFAOYSA-N
XLogP3.76
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.44
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(2-fluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]-3-(4-methyl-1,3-thiazol-5-yl)propan-1-one?
The IUPAC name of 1-[3-(2-fluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]-3-(4-methyl-1,3-thiazol-5-yl)propan-1-one (CID 25292951) is 1-[3-(2-fluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]-3-(4-methyl-1,3-thiazol-5-yl)propan-1-one.
What is the SMILES notation for 1-[3-(2-fluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]-3-(4-methyl-1,3-thiazol-5-yl)propan-1-one?
The canonical SMILES for 1-[3-(2-fluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]-3-(4-methyl-1,3-thiazol-5-yl)propan-1-one is Cc1ncsc1CCC(=O)N1CCc2onc(-c3ccccc3F)c2C1.
What is the InChIKey of 1-[3-(2-fluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]-3-(4-methyl-1,3-thiazol-5-yl)propan-1-one?
The InChIKey is ZYZFRXJIYDEBCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN3O2S/c1-12-17(26-11-21-12)6-7-18(24)23-9-8-16-14(10-23)19(22-25-16)13-4-2-3-5-15(13)20/h2-5,11H,6-10H2,1H3.
What are the key properties of 1-[3-(2-fluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]-3-(4-methyl-1,3-thiazol-5-yl)propan-1-one?
1-[3-(2-fluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]-3-(4-methyl-1,3-thiazol-5-yl)propan-1-one has a molecular weight of 371.44 g/mol, XLogP of 3.76, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2-fluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]-3-(4-methyl-1,3-thiazol-5-yl)propan-1-one is sourced from PubChem (CID 25292951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).