benzyl 5-(4-fluorophenyl)-4-(8-oxo-5,6-dihydro-1,7-naphthyridin-7-yl)-1,3-oxazole-2-carboxylate

C25H18FN3O4 — CID 174243747

IUPACbenzyl 5-(4-fluorophenyl)-4-(8-oxo-5,6-dihydro-1,7-naphthyridin-7-yl)-1,3-oxazole-2-carboxylate
SMILESO=C(OCc1ccccc1)c1nc(N2CCc3cccnc3C2=O)c(-c2ccc(F)cc2)o1
InChIInChI=1S/C25H18FN3O4/c26-19-10-8-18(9-11-19)21-22(29-14-12-17-7-4-13-27-20(17)24(29)30)28-23(33-21)25(31)32-15-16-5-2-1-3-6-16/h1-11,13H,12,14-15H2
InChIKeyXEJWOMIDZSSPRN-UHFFFAOYSA-N
MW443.43 g/mol
LogP4.44
Rot. Bonds5

About benzyl 5-(4-fluorophenyl)-4-(8-oxo-5,6-dihydro-1,7-naphthyridin-7-yl)-1,3-oxazole-2-carboxylate

benzyl 5-(4-fluorophenyl)-4-(8-oxo-5,6-dihydro-1,7-naphthyridin-7-yl)-1,3-oxazole-2-carboxylate (PubChem CID 174243747) has the molecular formula C25H18FN3O4 and a molecular weight of 443.43 g/mol. Its IUPAC name is benzyl 5-(4-fluorophenyl)-4-(8-oxo-5,6-dihydro-1,7-naphthyridin-7-yl)-1,3-oxazole-2-carboxylate.

Molecular Properties

Compound Namebenzyl 5-(4-fluorophenyl)-4-(8-oxo-5,6-dihydro-1,7-naphthyridin-7-yl)-1,3-oxazole-2-carboxylate
PubChem CID174243747
Molecular FormulaC25H18FN3O4
Molecular Weight443.43 g/mol
Exact Mass443.13
IUPAC Namebenzyl 5-(4-fluorophenyl)-4-(8-oxo-5,6-dihydro-1,7-naphthyridin-7-yl)-1,3-oxazole-2-carboxylate
SMILESO=C(OCc1ccccc1)c1nc(N2CCc3cccnc3C2=O)c(-c2ccc(F)cc2)o1
InChIInChI=1S/C25H18FN3O4/c26-19-10-8-18(9-11-19)21-22(29-14-12-17-7-4-13-27-20(17)24(29)30)28-23(33-21)25(31)32-15-16-5-2-1-3-6-16/h1-11,13H,12,14-15H2
InChIKeyXEJWOMIDZSSPRN-UHFFFAOYSA-N
XLogP4.44
TPSA85.53 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.43
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

benzyl 4-(8-oxo-5,6-dihydro-1,7-naphthyridin-7-yl)-5-[6-(1,1,2,2,2-pentafluoroethyl)-3-pyridinyl]-1,3-oxazole-2-carboxylate
CID 174246598
7-[5-(4-chloro-3-fluorophenyl)-2-(8-fluoroquinolin-3-yl)-1,3-oxazol-4-yl]-5,6-dihydro-1,7-naphthyridin-8-one
CID 171098869
benzyl 6-(4-fluorophenyl)-4-oxo-2,3-dihydropyridine-1-carboxylate
CID 67513920
(4-fluorophenyl)methyl 3-chloropyridine-2-carboxylate
CID 150554414
dibenzyl 2-(1-pyrimidin-2-yl-2,3-dihydroindol-7-yl)propanedioate
CID 122205281
benzyl 4,5-dimethyl-1,3-oxazole-2-carboxylate
CID 134511513
benzyl 2-[4-[4,4-bis(4-fluorophenyl)butyl]piperazin-1-yl]pyridine-3-carboxylate;hydrochloride
CID 172792056
benzyl (2R)-1-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]pyrrolidine-2-carboxylate
CID 1038969
benzyl 2-(4-fluorophenyl)-3-[(2S)-2-methylpyrrolidin-1-yl]quinoxaline-6-carboxylate
CID 70661278
benzyl spiro[3,4-dihydro-1H-1,8-naphthyridine-2,4'-piperidine]-1'-carboxylate
CID 163321248
benzyl 2-methyl-5-(4-methylphenyl)-1,3-oxazole-4-carboxylate
CID 139762946
benzyl 4-(2-fluoro-3-pyridinyl)-4-hydroxypiperidine-1-carboxylate
CID 12016071

Frequently Asked Questions

What is the IUPAC name of benzyl 5-(4-fluorophenyl)-4-(8-oxo-5,6-dihydro-1,7-naphthyridin-7-yl)-1,3-oxazole-2-carboxylate?
The IUPAC name of benzyl 5-(4-fluorophenyl)-4-(8-oxo-5,6-dihydro-1,7-naphthyridin-7-yl)-1,3-oxazole-2-carboxylate (CID 174243747) is benzyl 5-(4-fluorophenyl)-4-(8-oxo-5,6-dihydro-1,7-naphthyridin-7-yl)-1,3-oxazole-2-carboxylate.
What is the SMILES notation for benzyl 5-(4-fluorophenyl)-4-(8-oxo-5,6-dihydro-1,7-naphthyridin-7-yl)-1,3-oxazole-2-carboxylate?
The canonical SMILES for benzyl 5-(4-fluorophenyl)-4-(8-oxo-5,6-dihydro-1,7-naphthyridin-7-yl)-1,3-oxazole-2-carboxylate is O=C(OCc1ccccc1)c1nc(N2CCc3cccnc3C2=O)c(-c2ccc(F)cc2)o1.
What is the InChIKey of benzyl 5-(4-fluorophenyl)-4-(8-oxo-5,6-dihydro-1,7-naphthyridin-7-yl)-1,3-oxazole-2-carboxylate?
The InChIKey is XEJWOMIDZSSPRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18FN3O4/c26-19-10-8-18(9-11-19)21-22(29-14-12-17-7-4-13-27-20(17)24(29)30)28-23(33-21)25(31)32-15-16-5-2-1-3-6-16/h1-11,13H,12,14-15H2.
What are the key properties of benzyl 5-(4-fluorophenyl)-4-(8-oxo-5,6-dihydro-1,7-naphthyridin-7-yl)-1,3-oxazole-2-carboxylate?
benzyl 5-(4-fluorophenyl)-4-(8-oxo-5,6-dihydro-1,7-naphthyridin-7-yl)-1,3-oxazole-2-carboxylate has a molecular weight of 443.43 g/mol, XLogP of 4.44, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 5-(4-fluorophenyl)-4-(8-oxo-5,6-dihydro-1,7-naphthyridin-7-yl)-1,3-oxazole-2-carboxylate is sourced from PubChem (CID 174243747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).