4-[[3-(4-fluorophenyl)-5-methyl-2-pyridinyl]oxymethyl]-1,2-oxazole

C16H13FN2O2 — CID 143812897

IUPAC4-[[3-(4-fluorophenyl)-5-methyl-2-pyridinyl]oxymethyl]-1,2-oxazole
SMILESCc1cnc(OCc2cnoc2)c(-c2ccc(F)cc2)c1
InChIInChI=1S/C16H13FN2O2/c1-11-6-15(13-2-4-14(17)5-3-13)16(18-7-11)20-9-12-8-19-21-10-12/h2-8,10H,9H2,1H3
InChIKeyPUAYIECHECSWFE-UHFFFAOYSA-N
MW284.29 g/mol
LogP3.76
Rot. Bonds4

About 4-[[3-(4-fluorophenyl)-5-methyl-2-pyridinyl]oxymethyl]-1,2-oxazole

4-[[3-(4-fluorophenyl)-5-methyl-2-pyridinyl]oxymethyl]-1,2-oxazole (PubChem CID 143812897) has the molecular formula C16H13FN2O2 and a molecular weight of 284.29 g/mol. Its IUPAC name is 4-[[3-(4-fluorophenyl)-5-methyl-2-pyridinyl]oxymethyl]-1,2-oxazole.

Molecular Properties

Compound Name4-[[3-(4-fluorophenyl)-5-methyl-2-pyridinyl]oxymethyl]-1,2-oxazole
PubChem CID143812897
Molecular FormulaC16H13FN2O2
Molecular Weight284.29 g/mol
Exact Mass284.10
IUPAC Name4-[[3-(4-fluorophenyl)-5-methyl-2-pyridinyl]oxymethyl]-1,2-oxazole
SMILESCc1cnc(OCc2cnoc2)c(-c2ccc(F)cc2)c1
InChIInChI=1S/C16H13FN2O2/c1-11-6-15(13-2-4-14(17)5-3-13)16(18-7-11)20-9-12-8-19-21-10-12/h2-8,10H,9H2,1H3
InChIKeyPUAYIECHECSWFE-UHFFFAOYSA-N
XLogP3.76
TPSA48.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.29
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(4-fluorophenoxy)methyl]-1,2-oxazole
CID 61227729
5-ethyl-3-(4-fluorophenyl)-2-methoxypyridine
CID 163866261
3-(4-fluorophenyl)-5-methylpyridin-2-amine;hydrochloride
CID 69015794
2-methoxy-5-methyl-3-phenylpyridine
CID 46315016
1-fluoro-4-[2-[(4-methylphenyl)methoxy]phenyl]benzene
CID 123297454
5-(4-fluorophenyl)-6-methoxypyridin-3-amine
CID 46311843
N-methyl-1-[5-methyl-2-(1,2-oxazol-4-ylmethoxy)phenyl]ethanamine
CID 60870572
5-(4-fluorophenyl)-4-methyl-2-(4-methylphenyl)pyridine
CID 142308493
3-[2-fluoro-4-(1,2-oxazol-4-ylmethoxy)phenyl]prop-2-yn-1-ol
CID 65202756
2-(4-fluorophenyl)-4,5-dimethyl-6-[(4-methylphenyl)methoxy]pyrimidine
CID 95922976
4-[[5-(3-chlorophenyl)-6-methoxy-3-pyridinyl]methyl]-1,2-oxazole
CID 86296158
3-(4-chlorophenyl)-5-methyl-2-phenoxypyridine
CID 67505374

Frequently Asked Questions

What is the IUPAC name of 4-[[3-(4-fluorophenyl)-5-methyl-2-pyridinyl]oxymethyl]-1,2-oxazole?
The IUPAC name of 4-[[3-(4-fluorophenyl)-5-methyl-2-pyridinyl]oxymethyl]-1,2-oxazole (CID 143812897) is 4-[[3-(4-fluorophenyl)-5-methyl-2-pyridinyl]oxymethyl]-1,2-oxazole.
What is the SMILES notation for 4-[[3-(4-fluorophenyl)-5-methyl-2-pyridinyl]oxymethyl]-1,2-oxazole?
The canonical SMILES for 4-[[3-(4-fluorophenyl)-5-methyl-2-pyridinyl]oxymethyl]-1,2-oxazole is Cc1cnc(OCc2cnoc2)c(-c2ccc(F)cc2)c1.
What is the InChIKey of 4-[[3-(4-fluorophenyl)-5-methyl-2-pyridinyl]oxymethyl]-1,2-oxazole?
The InChIKey is PUAYIECHECSWFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13FN2O2/c1-11-6-15(13-2-4-14(17)5-3-13)16(18-7-11)20-9-12-8-19-21-10-12/h2-8,10H,9H2,1H3.
What are the key properties of 4-[[3-(4-fluorophenyl)-5-methyl-2-pyridinyl]oxymethyl]-1,2-oxazole?
4-[[3-(4-fluorophenyl)-5-methyl-2-pyridinyl]oxymethyl]-1,2-oxazole has a molecular weight of 284.29 g/mol, XLogP of 3.76, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-(4-fluorophenyl)-5-methyl-2-pyridinyl]oxymethyl]-1,2-oxazole is sourced from PubChem (CID 143812897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).