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

C19H20ClFN4O — CID 44580174

IUPAC3-(2-chloro-6-fluorophenyl)-5-(3-ethyl-2-piperidin-4-ylimidazol-4-yl)-1,2-oxazole
SMILESCCn1c(-c2cc(-c3c(F)cccc3Cl)no2)cnc1C1CCNCC1
InChIInChI=1S/C19H20ClFN4O/c1-2-25-16(11-23-19(25)12-6-8-22-9-7-12)17-10-15(24-26-17)18-13(20)4-3-5-14(18)21/h3-5,10-12,22H,2,6-9H2,1H3
InChIKeyREISQSFVUDAFPJ-UHFFFAOYSA-N
MW374.85 g/mol
LogP4.48
Rot. Bonds4

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

3-(2-chloro-6-fluorophenyl)-5-(3-ethyl-2-piperidin-4-ylimidazol-4-yl)-1,2-oxazole (PubChem CID 44580174) has the molecular formula C19H20ClFN4O and a molecular weight of 374.85 g/mol. Its IUPAC name is 3-(2-chloro-6-fluorophenyl)-5-(3-ethyl-2-piperidin-4-ylimidazol-4-yl)-1,2-oxazole.

Molecular Properties

Compound Name3-(2-chloro-6-fluorophenyl)-5-(3-ethyl-2-piperidin-4-ylimidazol-4-yl)-1,2-oxazole
PubChem CID44580174
Molecular FormulaC19H20ClFN4O
Molecular Weight374.85 g/mol
Exact Mass374.13
IUPAC Name3-(2-chloro-6-fluorophenyl)-5-(3-ethyl-2-piperidin-4-ylimidazol-4-yl)-1,2-oxazole
SMILESCCn1c(-c2cc(-c3c(F)cccc3Cl)no2)cnc1C1CCNCC1
InChIInChI=1S/C19H20ClFN4O/c1-2-25-16(11-23-19(25)12-6-8-22-9-7-12)17-10-15(24-26-17)18-13(20)4-3-5-14(18)21/h3-5,10-12,22H,2,6-9H2,1H3
InChIKeyREISQSFVUDAFPJ-UHFFFAOYSA-N
XLogP4.48
TPSA55.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.85
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(2-chloro-6-fluorophenyl)-5-(3-ethyl-2-piperidin-4-ylimidazol-4-yl)-1,2-oxazole?
The IUPAC name of 3-(2-chloro-6-fluorophenyl)-5-(3-ethyl-2-piperidin-4-ylimidazol-4-yl)-1,2-oxazole (CID 44580174) is 3-(2-chloro-6-fluorophenyl)-5-(3-ethyl-2-piperidin-4-ylimidazol-4-yl)-1,2-oxazole.
What is the SMILES notation for 3-(2-chloro-6-fluorophenyl)-5-(3-ethyl-2-piperidin-4-ylimidazol-4-yl)-1,2-oxazole?
The canonical SMILES for 3-(2-chloro-6-fluorophenyl)-5-(3-ethyl-2-piperidin-4-ylimidazol-4-yl)-1,2-oxazole is CCn1c(-c2cc(-c3c(F)cccc3Cl)no2)cnc1C1CCNCC1.
What is the InChIKey of 3-(2-chloro-6-fluorophenyl)-5-(3-ethyl-2-piperidin-4-ylimidazol-4-yl)-1,2-oxazole?
The InChIKey is REISQSFVUDAFPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClFN4O/c1-2-25-16(11-23-19(25)12-6-8-22-9-7-12)17-10-15(24-26-17)18-13(20)4-3-5-14(18)21/h3-5,10-12,22H,2,6-9H2,1H3.
What are the key properties of 3-(2-chloro-6-fluorophenyl)-5-(3-ethyl-2-piperidin-4-ylimidazol-4-yl)-1,2-oxazole?
3-(2-chloro-6-fluorophenyl)-5-(3-ethyl-2-piperidin-4-ylimidazol-4-yl)-1,2-oxazole has a molecular weight of 374.85 g/mol, XLogP of 4.48, 4 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-ethyl-2-piperidin-4-ylimidazol-4-yl)-1,2-oxazole is sourced from PubChem (CID 44580174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).