3-(4-fluorophenyl)-5-methyl-4-[(Z)-2-(1-methylpyrazol-3-yl)ethenyl]-1,2-oxazole

C16H14FN3O — CID 141279437

IUPAC3-(4-fluorophenyl)-5-methyl-4-[(Z)-2-(1-methylpyrazol-3-yl)ethenyl]-1,2-oxazole
SMILESCc1onc(-c2ccc(F)cc2)c1/C=C\c1ccn(C)n1
InChIInChI=1S/C16H14FN3O/c1-11-15(8-7-14-9-10-20(2)18-14)16(19-21-11)12-3-5-13(17)6-4-12/h3-10H,1-2H3/b8-7-
InChIKeyCOGZGRIMMWKZQW-FPLPWBNLSA-N
MW283.31 g/mol
LogP3.69
Rot. Bonds3

About 3-(4-fluorophenyl)-5-methyl-4-[(Z)-2-(1-methylpyrazol-3-yl)ethenyl]-1,2-oxazole

3-(4-fluorophenyl)-5-methyl-4-[(Z)-2-(1-methylpyrazol-3-yl)ethenyl]-1,2-oxazole (PubChem CID 141279437) has the molecular formula C16H14FN3O and a molecular weight of 283.31 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-5-methyl-4-[(Z)-2-(1-methylpyrazol-3-yl)ethenyl]-1,2-oxazole.

Molecular Properties

Compound Name3-(4-fluorophenyl)-5-methyl-4-[(Z)-2-(1-methylpyrazol-3-yl)ethenyl]-1,2-oxazole
PubChem CID141279437
Molecular FormulaC16H14FN3O
Molecular Weight283.31 g/mol
Exact Mass283.11
IUPAC Name3-(4-fluorophenyl)-5-methyl-4-[(Z)-2-(1-methylpyrazol-3-yl)ethenyl]-1,2-oxazole
SMILESCc1onc(-c2ccc(F)cc2)c1/C=C\c1ccn(C)n1
InChIInChI=1S/C16H14FN3O/c1-11-15(8-7-14-9-10-20(2)18-14)16(19-21-11)12-3-5-13(17)6-4-12/h3-10H,1-2H3/b8-7-
InChIKeyCOGZGRIMMWKZQW-FPLPWBNLSA-N
XLogP3.69
TPSA43.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.31
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 674657
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5-methyl-3-phenyl-4-(1H-pyrazol-1-ylcarbonyl)isoxazole
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N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-2-phenylacetamide
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N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-3-phenylpropanamide
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N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-4-phenylbutanamide
CID 57944991
3-(2-chloro-3-fluorophenyl)-5-(1-(piperidin-4-yl)-1H-pyrazol-4-yl)isoxazole
CID 44580092
3-(2-chloro-6-fluorophenyl)-5-(1-(piperidin-4-yl)-1H-pyrazol-4-yl)isoxazole
CID 44580286
3-(2-chloro-6-fluorophenyl)-5-(5-methyl-1-(piperidin-4-yl)-1H-pyrazol-4-yl)isoxazole
CID 44580287
3-(2-chloro-5-fluorophenyl)-5-(1-(piperidin-4-yl)-1H-pyrazol-4-yl)isoxazole
CID 44580288
3-(2-chloro-4-fluorophenyl)-5-(1-(piperidin-4-yl)-1H-pyrazol-4-yl)isoxazole
CID 44580289
(7S)-7-amino-7-[1-(4-fluorophenyl)pyrazol-4-yl]-1-(1,2-oxazol-3-yl)heptan-1-one
CID 156010930

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-5-methyl-4-[(Z)-2-(1-methylpyrazol-3-yl)ethenyl]-1,2-oxazole?
The IUPAC name of 3-(4-fluorophenyl)-5-methyl-4-[(Z)-2-(1-methylpyrazol-3-yl)ethenyl]-1,2-oxazole (CID 141279437) is 3-(4-fluorophenyl)-5-methyl-4-[(Z)-2-(1-methylpyrazol-3-yl)ethenyl]-1,2-oxazole.
What is the SMILES notation for 3-(4-fluorophenyl)-5-methyl-4-[(Z)-2-(1-methylpyrazol-3-yl)ethenyl]-1,2-oxazole?
The canonical SMILES for 3-(4-fluorophenyl)-5-methyl-4-[(Z)-2-(1-methylpyrazol-3-yl)ethenyl]-1,2-oxazole is Cc1onc(-c2ccc(F)cc2)c1/C=C\c1ccn(C)n1.
What is the InChIKey of 3-(4-fluorophenyl)-5-methyl-4-[(Z)-2-(1-methylpyrazol-3-yl)ethenyl]-1,2-oxazole?
The InChIKey is COGZGRIMMWKZQW-FPLPWBNLSA-N. The full InChI is InChI=1S/C16H14FN3O/c1-11-15(8-7-14-9-10-20(2)18-14)16(19-21-11)12-3-5-13(17)6-4-12/h3-10H,1-2H3/b8-7-.
What are the key properties of 3-(4-fluorophenyl)-5-methyl-4-[(Z)-2-(1-methylpyrazol-3-yl)ethenyl]-1,2-oxazole?
3-(4-fluorophenyl)-5-methyl-4-[(Z)-2-(1-methylpyrazol-3-yl)ethenyl]-1,2-oxazole has a molecular weight of 283.31 g/mol, XLogP of 3.69, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-5-methyl-4-[(Z)-2-(1-methylpyrazol-3-yl)ethenyl]-1,2-oxazole is sourced from PubChem (CID 141279437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).