3-(4-fluorophenyl)-N-phenyl-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridine-5-carboxamide

C19H16FN3O2 — CID 108780471

IUPAC3-(4-fluorophenyl)-N-phenyl-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridine-5-carboxamide
SMILESO=C(Nc1ccccc1)N1CCc2noc(-c3ccc(F)cc3)c2C1
InChIInChI=1S/C19H16FN3O2/c20-14-8-6-13(7-9-14)18-16-12-23(11-10-17(16)22-25-18)19(24)21-15-4-2-1-3-5-15/h1-9H,10-12H2,(H,21,24)
InChIKeyFDXTWFUCSIOKRO-UHFFFAOYSA-N
MW337.35 g/mol
LogP4.07
Rot. Bonds2

About 3-(4-fluorophenyl)-N-phenyl-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridine-5-carboxamide

3-(4-fluorophenyl)-N-phenyl-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridine-5-carboxamide (PubChem CID 108780471) has the molecular formula C19H16FN3O2 and a molecular weight of 337.35 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-N-phenyl-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridine-5-carboxamide.

Molecular Properties

Compound Name3-(4-fluorophenyl)-N-phenyl-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridine-5-carboxamide
PubChem CID108780471
Molecular FormulaC19H16FN3O2
Molecular Weight337.35 g/mol
Exact Mass337.12
IUPAC Name3-(4-fluorophenyl)-N-phenyl-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridine-5-carboxamide
SMILESO=C(Nc1ccccc1)N1CCc2noc(-c3ccc(F)cc3)c2C1
InChIInChI=1S/C19H16FN3O2/c20-14-8-6-13(7-9-14)18-16-12-23(11-10-17(16)22-25-18)19(24)21-15-4-2-1-3-5-15/h1-9H,10-12H2,(H,21,24)
InChIKeyFDXTWFUCSIOKRO-UHFFFAOYSA-N
XLogP4.07
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.35
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-[3-(4-fluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridine-5-carbonyl]phenyl]-phenylmethanone
CID 108751210
2-chloro-1-[3-(4-fluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridin-5-yl]propan-1-one
CID 108727198
2-(4-fluorophenyl)-1-[3-(4-fluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridin-5-yl]ethanone
CID 108751170
[3-(4-fluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridin-5-yl]-(2-methoxyphenyl)methanone
CID 108751163
[3-(4-fluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridin-5-yl]-[2-(trifluoromethyl)phenyl]methanone
CID 108751147
2-[1-[3-(4-fluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridin-5-yl]-1-oxopropan-2-yl]isoindole-1,3-dione
CID 108751197
methyl 4-[3-(4-fluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridin-5-yl]-4-oxobutanoate
CID 108727269
prop-2-enyl 3-(4-fluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridine-5-carboxylate
CID 108727187
[3-(4-fluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridin-5-yl]-(4-propan-2-ylphenyl)methanone
CID 108727184
N-[4-[[3-(4-fluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridin-5-yl]sulfonyl]phenyl]acetamide
CID 108780450
N-cyclohexyl-3-(4-fluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridine-5-carbothioamide
CID 108780477
3-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-1-methyl-N-phenyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide
CID 53018978

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-N-phenyl-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridine-5-carboxamide?
The IUPAC name of 3-(4-fluorophenyl)-N-phenyl-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridine-5-carboxamide (CID 108780471) is 3-(4-fluorophenyl)-N-phenyl-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridine-5-carboxamide.
What is the SMILES notation for 3-(4-fluorophenyl)-N-phenyl-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridine-5-carboxamide?
The canonical SMILES for 3-(4-fluorophenyl)-N-phenyl-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridine-5-carboxamide is O=C(Nc1ccccc1)N1CCc2noc(-c3ccc(F)cc3)c2C1.
What is the InChIKey of 3-(4-fluorophenyl)-N-phenyl-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridine-5-carboxamide?
The InChIKey is FDXTWFUCSIOKRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16FN3O2/c20-14-8-6-13(7-9-14)18-16-12-23(11-10-17(16)22-25-18)19(24)21-15-4-2-1-3-5-15/h1-9H,10-12H2,(H,21,24).
What are the key properties of 3-(4-fluorophenyl)-N-phenyl-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridine-5-carboxamide?
3-(4-fluorophenyl)-N-phenyl-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridine-5-carboxamide has a molecular weight of 337.35 g/mol, XLogP of 4.07, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-N-phenyl-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridine-5-carboxamide is sourced from PubChem (CID 108780471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).