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

C18H18ClFN4O — CID 44580173

IUPAC3-(2-chloro-6-fluorophenyl)-5-(3-methyl-2-piperidin-4-ylimidazol-4-yl)-1,2-oxazole
SMILESCn1c(-c2cc(-c3c(F)cccc3Cl)no2)cnc1C1CCNCC1
InChIInChI=1S/C18H18ClFN4O/c1-24-15(10-22-18(24)11-5-7-21-8-6-11)16-9-14(23-25-16)17-12(19)3-2-4-13(17)20/h2-4,9-11,21H,5-8H2,1H3
InChIKeyGIPQOUBHCGMGFM-UHFFFAOYSA-N
MW360.82 g/mol
LogP4.00
Rot. Bonds3

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

3-(2-chloro-6-fluorophenyl)-5-(3-methyl-2-piperidin-4-ylimidazol-4-yl)-1,2-oxazole (PubChem CID 44580173) has the molecular formula C18H18ClFN4O and a molecular weight of 360.82 g/mol. Its IUPAC name is 3-(2-chloro-6-fluorophenyl)-5-(3-methyl-2-piperidin-4-ylimidazol-4-yl)-1,2-oxazole.

Molecular Properties

Compound Name3-(2-chloro-6-fluorophenyl)-5-(3-methyl-2-piperidin-4-ylimidazol-4-yl)-1,2-oxazole
PubChem CID44580173
Molecular FormulaC18H18ClFN4O
Molecular Weight360.82 g/mol
Exact Mass360.12
IUPAC Name3-(2-chloro-6-fluorophenyl)-5-(3-methyl-2-piperidin-4-ylimidazol-4-yl)-1,2-oxazole
SMILESCn1c(-c2cc(-c3c(F)cccc3Cl)no2)cnc1C1CCNCC1
InChIInChI=1S/C18H18ClFN4O/c1-24-15(10-22-18(24)11-5-7-21-8-6-11)16-9-14(23-25-16)17-12(19)3-2-4-13(17)20/h2-4,9-11,21H,5-8H2,1H3
InChIKeyGIPQOUBHCGMGFM-UHFFFAOYSA-N
XLogP4.00
TPSA55.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.82
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

7-Ethyl-2-(3-phenyl-5-isoxazolyl)imidazo[1,2-a]pyridine
CID 2812530
6-Methyl-2-(3-phenyl-5-isoxazolyl)imidazo[1,2-a]pyridine
CID 2813808
3-(2-chloro-6-fluorophenyl)-5-(1-ethyl-2-(piperidin-4-yl)-1H-imidazol-5-yl)isoxazole
CID 44580174
3-(2-chloro-6-fluorophenyl)-5-(2-(4-fluoropiperidin-4-yl)-1-methyl-1H-imidazol-5-yl)isoxazole
CID 44580175
3-(2-chloro-6-fluorophenyl)-5-(1-ethyl-2-(4-fluoropiperidin-4-yl)-1H-imidazol-5-yl)isoxazole
CID 44580290
6-Chloro-N-(1,1-dimethylethyl)-2-[4-(3,5-dimethyl-4-isoxazolyl)phenyl]imidazo[1,2-a]pyridin-3-amine
CID 117841259
3-(4-Chlorophenyl)-5-[[2-(2,3-difluorophenyl)imidazo[4,5-c]pyridin-5-yl]methyl]isoxazole
CID 15986473
N-benzyl-6-chloro-2-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]imidazo[1,2-a]pyridin-3-amine
CID 117833991
5-[5-Amino-6-[3-[4-(methylaminomethyl)phenyl]-1,2-oxazol-5-yl]pyrazin-2-yl]-1-[(1-methylimidazol-2-yl)methyl]pyridin-2-one
CID 129057678
N-(4-((6-(1H-imidazol-1-yl)-2-methylpyrimidin-4-yl)amino)phenyl)-3-(2-chlorophenyl)-5-methylisoxazole-4-carboxamide
CID 45502602
N-methyl-1-(1-methyl-1H-imidazol-2-yl)-N-[(3-pyridin-4-ylisoxazol-5-yl)methyl]methanamine
CID 50975840
5-[[4-[(1-Methylimidazol-2-yl)methyl]piperazin-1-yl]methyl]-3-phenyl-1,2-oxazole
CID 53571099

Frequently Asked Questions

What is the IUPAC name of 3-(2-chloro-6-fluorophenyl)-5-(3-methyl-2-piperidin-4-ylimidazol-4-yl)-1,2-oxazole?
The IUPAC name of 3-(2-chloro-6-fluorophenyl)-5-(3-methyl-2-piperidin-4-ylimidazol-4-yl)-1,2-oxazole (CID 44580173) is 3-(2-chloro-6-fluorophenyl)-5-(3-methyl-2-piperidin-4-ylimidazol-4-yl)-1,2-oxazole.
What is the SMILES notation for 3-(2-chloro-6-fluorophenyl)-5-(3-methyl-2-piperidin-4-ylimidazol-4-yl)-1,2-oxazole?
The canonical SMILES for 3-(2-chloro-6-fluorophenyl)-5-(3-methyl-2-piperidin-4-ylimidazol-4-yl)-1,2-oxazole is Cn1c(-c2cc(-c3c(F)cccc3Cl)no2)cnc1C1CCNCC1.
What is the InChIKey of 3-(2-chloro-6-fluorophenyl)-5-(3-methyl-2-piperidin-4-ylimidazol-4-yl)-1,2-oxazole?
The InChIKey is GIPQOUBHCGMGFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClFN4O/c1-24-15(10-22-18(24)11-5-7-21-8-6-11)16-9-14(23-25-16)17-12(19)3-2-4-13(17)20/h2-4,9-11,21H,5-8H2,1H3.
What are the key properties of 3-(2-chloro-6-fluorophenyl)-5-(3-methyl-2-piperidin-4-ylimidazol-4-yl)-1,2-oxazole?
3-(2-chloro-6-fluorophenyl)-5-(3-methyl-2-piperidin-4-ylimidazol-4-yl)-1,2-oxazole has a molecular weight of 360.82 g/mol, XLogP of 4.00, 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-(3-methyl-2-piperidin-4-ylimidazol-4-yl)-1,2-oxazole is sourced from PubChem (CID 44580173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).