5-(3-fluoro-5-methylphenyl)-2-(1,3-oxazol-2-yl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine

C16H14FN3O2 — CID 58077208

IUPAC5-(3-fluoro-5-methylphenyl)-2-(1,3-oxazol-2-yl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine
SMILESCc1cc(F)cc(N2CCc3oc(-c4ncco4)nc3C2)c1
InChIInChI=1S/C16H14FN3O2/c1-10-6-11(17)8-12(7-10)20-4-2-14-13(9-20)19-16(22-14)15-18-3-5-21-15/h3,5-8H,2,4,9H2,1H3
InChIKeyDXHOALUEZLJTLK-UHFFFAOYSA-N
MW299.31 g/mol
LogP3.34
Rot. Bonds2

About 5-(3-fluoro-5-methylphenyl)-2-(1,3-oxazol-2-yl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine

5-(3-fluoro-5-methylphenyl)-2-(1,3-oxazol-2-yl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine (PubChem CID 58077208) has the molecular formula C16H14FN3O2 and a molecular weight of 299.31 g/mol. Its IUPAC name is 5-(3-fluoro-5-methylphenyl)-2-(1,3-oxazol-2-yl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine.

Molecular Properties

Compound Name5-(3-fluoro-5-methylphenyl)-2-(1,3-oxazol-2-yl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine
PubChem CID58077208
Molecular FormulaC16H14FN3O2
Molecular Weight299.31 g/mol
Exact Mass299.11
IUPAC Name5-(3-fluoro-5-methylphenyl)-2-(1,3-oxazol-2-yl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine
SMILESCc1cc(F)cc(N2CCc3oc(-c4ncco4)nc3C2)c1
InChIInChI=1S/C16H14FN3O2/c1-10-6-11(17)8-12(7-10)20-4-2-14-13(9-20)19-16(22-14)15-18-3-5-21-15/h3,5-8H,2,4,9H2,1H3
InChIKeyDXHOALUEZLJTLK-UHFFFAOYSA-N
XLogP3.34
TPSA55.30 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.31
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 5-(3-fluoro-5-methylphenyl)-2-(1,3-oxazol-2-yl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine with MolForge

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Related Compounds

N-(2-(4-(oxazol-4-ylmethyl)piperazin-1-yl)-5-(trifluoro-methyl)phenyl)oxazole-2-carboxamide
CID 129032666
3-Fluoro-5-(2-(oxazol-2-yl)-6,7-dihydrooxazolo[4,5-c]pyridin-5(4H)-yl)benzonitrile
CID 58076866
N-[(3-fluorophenyl)methyl]-5-(pyridin-3-ylmethyl)-4,6-dihydropyrrolo[3,4-d][1,3]oxazole-2-carboxamide
CID 97442818
[5-[(2,5-difluorophenyl)methyl]-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-2-yl]-[(3S)-3-methoxypyrrolidin-1-yl]methanone
CID 129556804
[5-[(2,5-difluorophenyl)methyl]-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-2-yl]-[(3R)-3-methoxypyrrolidin-1-yl]methanone
CID 129556805
[5-[(2-fluorophenyl)methyl]-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-2-yl]-[(3S)-3-methoxypyrrolidin-1-yl]methanone
CID 129557617
[5-[(2-fluorophenyl)methyl]-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-2-yl]-[(3R)-3-methoxypyrrolidin-1-yl]methanone
CID 129557618
[5-[(2-fluorophenyl)methyl]-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-2-yl]-(3-methoxypyrrolidin-1-yl)methanone
CID 131681134
[5-[(4-fluoro-3-methylphenyl)methyl]-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-2-yl]-(3-methoxypyrrolidin-1-yl)methanone
CID 131681221
[5-[(2,4-difluorophenyl)methyl]-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-2-yl]-(3-methoxypyrrolidin-1-yl)methanone
CID 131681566
2-(oxazol-2-yl)-6,7-dihydro-4H-oxazolo[4,5-c]pyridine-5-carboxylic acid benzyl ester
CID 58077030
[(3R)-3-methoxypyrrolidin-1-yl]-[5-[(1R)-1-phenylethyl]-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-2-yl]methanone
CID 129556612

Frequently Asked Questions

What is the IUPAC name of 5-(3-fluoro-5-methylphenyl)-2-(1,3-oxazol-2-yl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine?
The IUPAC name of 5-(3-fluoro-5-methylphenyl)-2-(1,3-oxazol-2-yl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine (CID 58077208) is 5-(3-fluoro-5-methylphenyl)-2-(1,3-oxazol-2-yl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine.
What is the SMILES notation for 5-(3-fluoro-5-methylphenyl)-2-(1,3-oxazol-2-yl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine?
The canonical SMILES for 5-(3-fluoro-5-methylphenyl)-2-(1,3-oxazol-2-yl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine is Cc1cc(F)cc(N2CCc3oc(-c4ncco4)nc3C2)c1.
What is the InChIKey of 5-(3-fluoro-5-methylphenyl)-2-(1,3-oxazol-2-yl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine?
The InChIKey is DXHOALUEZLJTLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FN3O2/c1-10-6-11(17)8-12(7-10)20-4-2-14-13(9-20)19-16(22-14)15-18-3-5-21-15/h3,5-8H,2,4,9H2,1H3.
What are the key properties of 5-(3-fluoro-5-methylphenyl)-2-(1,3-oxazol-2-yl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine?
5-(3-fluoro-5-methylphenyl)-2-(1,3-oxazol-2-yl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine has a molecular weight of 299.31 g/mol, XLogP of 3.34, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-fluoro-5-methylphenyl)-2-(1,3-oxazol-2-yl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine is sourced from PubChem (CID 58077208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).