7-[(4-fluorophenyl)methyl]-3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-5,6-dihydro-4H-[1,2]oxazolo[3,4-b]pyridine

C24H23FN4O2 — CID 53319362

IUPAC7-[(4-fluorophenyl)methyl]-3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-5,6-dihydro-4H-[1,2]oxazolo[3,4-b]pyridine
SMILESCOc1cc(-c2onc3c2CCCN3Cc2ccc(F)cc2)ccc1-n1cnc(C)c1
InChIInChI=1S/C24H23FN4O2/c1-16-13-29(15-26-16)21-10-7-18(12-22(21)30-2)23-20-4-3-11-28(24(20)27-31-23)14-17-5-8-19(25)9-6-17/h5-10,12-13,15H,3-4,11,14H2,1-2H3
InChIKeyDMWMYUNGVIOIAI-UHFFFAOYSA-N
MW418.47 g/mol
LogP4.94
Rot. Bonds5

About 7-[(4-fluorophenyl)methyl]-3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-5,6-dihydro-4H-[1,2]oxazolo[3,4-b]pyridine

7-[(4-fluorophenyl)methyl]-3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-5,6-dihydro-4H-[1,2]oxazolo[3,4-b]pyridine (PubChem CID 53319362) has the molecular formula C24H23FN4O2 and a molecular weight of 418.47 g/mol. Its IUPAC name is 7-[(4-fluorophenyl)methyl]-3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-5,6-dihydro-4H-[1,2]oxazolo[3,4-b]pyridine.

Molecular Properties

Compound Name7-[(4-fluorophenyl)methyl]-3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-5,6-dihydro-4H-[1,2]oxazolo[3,4-b]pyridine
PubChem CID53319362
Molecular FormulaC24H23FN4O2
Molecular Weight418.47 g/mol
Exact Mass418.18
IUPAC Name7-[(4-fluorophenyl)methyl]-3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-5,6-dihydro-4H-[1,2]oxazolo[3,4-b]pyridine
SMILESCOc1cc(-c2onc3c2CCCN3Cc2ccc(F)cc2)ccc1-n1cnc(C)c1
InChIInChI=1S/C24H23FN4O2/c1-16-13-29(15-26-16)21-10-7-18(12-22(21)30-2)23-20-4-3-11-28(24(20)27-31-23)14-17-5-8-19(25)9-6-17/h5-10,12-13,15H,3-4,11,14H2,1-2H3
InChIKeyDMWMYUNGVIOIAI-UHFFFAOYSA-N
XLogP4.94
TPSA56.32 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.47
LogP ≤ 54.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-[(4-fluorophenyl)methyl]-3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-5,6-dihydro-4H-[1,2]oxazolo[3,4-b]pyridine?
The IUPAC name of 7-[(4-fluorophenyl)methyl]-3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-5,6-dihydro-4H-[1,2]oxazolo[3,4-b]pyridine (CID 53319362) is 7-[(4-fluorophenyl)methyl]-3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-5,6-dihydro-4H-[1,2]oxazolo[3,4-b]pyridine.
What is the SMILES notation for 7-[(4-fluorophenyl)methyl]-3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-5,6-dihydro-4H-[1,2]oxazolo[3,4-b]pyridine?
The canonical SMILES for 7-[(4-fluorophenyl)methyl]-3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-5,6-dihydro-4H-[1,2]oxazolo[3,4-b]pyridine is COc1cc(-c2onc3c2CCCN3Cc2ccc(F)cc2)ccc1-n1cnc(C)c1.
What is the InChIKey of 7-[(4-fluorophenyl)methyl]-3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-5,6-dihydro-4H-[1,2]oxazolo[3,4-b]pyridine?
The InChIKey is DMWMYUNGVIOIAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23FN4O2/c1-16-13-29(15-26-16)21-10-7-18(12-22(21)30-2)23-20-4-3-11-28(24(20)27-31-23)14-17-5-8-19(25)9-6-17/h5-10,12-13,15H,3-4,11,14H2,1-2H3.
What are the key properties of 7-[(4-fluorophenyl)methyl]-3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-5,6-dihydro-4H-[1,2]oxazolo[3,4-b]pyridine?
7-[(4-fluorophenyl)methyl]-3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-5,6-dihydro-4H-[1,2]oxazolo[3,4-b]pyridine has a molecular weight of 418.47 g/mol, XLogP of 4.94, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(4-fluorophenyl)methyl]-3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-5,6-dihydro-4H-[1,2]oxazolo[3,4-b]pyridine is sourced from PubChem (CID 53319362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).