3-(2-chloro-6-fluorophenyl)-5-(1-piperidin-4-ylpyrazol-4-yl)-1,2-oxazole

C17H16ClFN4O — CID 44580286

IUPAC3-(2-chloro-6-fluorophenyl)-5-(1-piperidin-4-ylpyrazol-4-yl)-1,2-oxazole
SMILESFc1cccc(Cl)c1-c1cc(-c2cnn(C3CCNCC3)c2)on1
InChIInChI=1S/C17H16ClFN4O/c18-13-2-1-3-14(19)17(13)15-8-16(24-22-15)11-9-21-23(10-11)12-4-6-20-7-5-12/h1-3,8-10,12,20H,4-7H2
InChIKeyLSNVYEZSGUMHPT-UHFFFAOYSA-N
MW346.79 g/mol
LogP3.92
Rot. Bonds3

About 3-(2-chloro-6-fluorophenyl)-5-(1-piperidin-4-ylpyrazol-4-yl)-1,2-oxazole

3-(2-chloro-6-fluorophenyl)-5-(1-piperidin-4-ylpyrazol-4-yl)-1,2-oxazole (PubChem CID 44580286) has the molecular formula C17H16ClFN4O and a molecular weight of 346.79 g/mol. Its IUPAC name is 3-(2-chloro-6-fluorophenyl)-5-(1-piperidin-4-ylpyrazol-4-yl)-1,2-oxazole.

Molecular Properties

Compound Name3-(2-chloro-6-fluorophenyl)-5-(1-piperidin-4-ylpyrazol-4-yl)-1,2-oxazole
PubChem CID44580286
Molecular FormulaC17H16ClFN4O
Molecular Weight346.79 g/mol
Exact Mass346.10
IUPAC Name3-(2-chloro-6-fluorophenyl)-5-(1-piperidin-4-ylpyrazol-4-yl)-1,2-oxazole
SMILESFc1cccc(Cl)c1-c1cc(-c2cnn(C3CCNCC3)c2)on1
InChIInChI=1S/C17H16ClFN4O/c18-13-2-1-3-14(19)17(13)15-8-16(24-22-15)11-9-21-23(10-11)12-4-6-20-7-5-12/h1-3,8-10,12,20H,4-7H2
InChIKeyLSNVYEZSGUMHPT-UHFFFAOYSA-N
XLogP3.92
TPSA55.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.79
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(2-chlorophenyl)-5-methyl-4-(1H-pyrazol-1-ylcarbonyl)isoxazole
CID 674657
3-(2,6-dichlorophenyl)-N-[(1-ethyl-3-methyl-1H-pyrazol-4-yl)methyl]-5-methyl-4-isoxazolecarboxamide
CID 1225522
N-(1-benzylpyrazol-4-yl)-3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 4451622
3-(2-chloro-6-fluorophenyl)-5-methyl-N-[3-(1H-pyrazol-1-ylmethyl)phenyl]-4-isoxazolecarboxamide
CID 1245960
3-(2-chlorophenyl)-5-(5-methyl-1-(piperidin-4-yl)-1H-pyrazol-4-yl)isoxazole
CID 24894145
3-(2-chloro-3-fluorophenyl)-5-(1-(piperidin-4-yl)-1H-pyrazol-4-yl)isoxazole
CID 44580092
3-(3-chloropyridin-4-yl)-5-(1-(piperidin-4-yl)-1H-pyrazol-4-yl)isoxazole
CID 44580093
3-(2,6-dichlorophenyl)-5-(1-(piperidin-4-yl)-1H-pyrazol-4-yl)isoxazole
CID 44580095
3-(2-chlorophenyl)-5-(1-(piperidin-4-yl)-1H-pyrazol-4-yl)isoxazole
CID 44580252
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

Frequently Asked Questions

What is the IUPAC name of 3-(2-chloro-6-fluorophenyl)-5-(1-piperidin-4-ylpyrazol-4-yl)-1,2-oxazole?
The IUPAC name of 3-(2-chloro-6-fluorophenyl)-5-(1-piperidin-4-ylpyrazol-4-yl)-1,2-oxazole (CID 44580286) is 3-(2-chloro-6-fluorophenyl)-5-(1-piperidin-4-ylpyrazol-4-yl)-1,2-oxazole.
What is the SMILES notation for 3-(2-chloro-6-fluorophenyl)-5-(1-piperidin-4-ylpyrazol-4-yl)-1,2-oxazole?
The canonical SMILES for 3-(2-chloro-6-fluorophenyl)-5-(1-piperidin-4-ylpyrazol-4-yl)-1,2-oxazole is Fc1cccc(Cl)c1-c1cc(-c2cnn(C3CCNCC3)c2)on1.
What is the InChIKey of 3-(2-chloro-6-fluorophenyl)-5-(1-piperidin-4-ylpyrazol-4-yl)-1,2-oxazole?
The InChIKey is LSNVYEZSGUMHPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClFN4O/c18-13-2-1-3-14(19)17(13)15-8-16(24-22-15)11-9-21-23(10-11)12-4-6-20-7-5-12/h1-3,8-10,12,20H,4-7H2.
What are the key properties of 3-(2-chloro-6-fluorophenyl)-5-(1-piperidin-4-ylpyrazol-4-yl)-1,2-oxazole?
3-(2-chloro-6-fluorophenyl)-5-(1-piperidin-4-ylpyrazol-4-yl)-1,2-oxazole has a molecular weight of 346.79 g/mol, XLogP of 3.92, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chloro-6-fluorophenyl)-5-(1-piperidin-4-ylpyrazol-4-yl)-1,2-oxazole is sourced from PubChem (CID 44580286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).