3-(2-chloro-6-fluorophenyl)-5-[3-ethyl-2-(4-fluoropiperidin-4-yl)imidazol-4-yl]-1,2-oxazole

C19H19ClF2N4O — CID 44580290

IUPAC3-(2-chloro-6-fluorophenyl)-5-[3-ethyl-2-(4-fluoropiperidin-4-yl)imidazol-4-yl]-1,2-oxazole
SMILESCCn1c(-c2cc(-c3c(F)cccc3Cl)no2)cnc1C1(F)CCNCC1
InChIInChI=1S/C19H19ClF2N4O/c1-2-26-15(11-24-18(26)19(22)6-8-23-9-7-19)16-10-14(25-27-16)17-12(20)4-3-5-13(17)21/h3-5,10-11,23H,2,6-9H2,1H3
InChIKeyMKXCECHNTLUQPV-UHFFFAOYSA-N
MW392.84 g/mol
LogP4.57
Rot. Bonds4

About 3-(2-chloro-6-fluorophenyl)-5-[3-ethyl-2-(4-fluoropiperidin-4-yl)imidazol-4-yl]-1,2-oxazole

3-(2-chloro-6-fluorophenyl)-5-[3-ethyl-2-(4-fluoropiperidin-4-yl)imidazol-4-yl]-1,2-oxazole (PubChem CID 44580290) has the molecular formula C19H19ClF2N4O and a molecular weight of 392.84 g/mol. Its IUPAC name is 3-(2-chloro-6-fluorophenyl)-5-[3-ethyl-2-(4-fluoropiperidin-4-yl)imidazol-4-yl]-1,2-oxazole.

Molecular Properties

Compound Name3-(2-chloro-6-fluorophenyl)-5-[3-ethyl-2-(4-fluoropiperidin-4-yl)imidazol-4-yl]-1,2-oxazole
PubChem CID44580290
Molecular FormulaC19H19ClF2N4O
Molecular Weight392.84 g/mol
Exact Mass392.12
IUPAC Name3-(2-chloro-6-fluorophenyl)-5-[3-ethyl-2-(4-fluoropiperidin-4-yl)imidazol-4-yl]-1,2-oxazole
SMILESCCn1c(-c2cc(-c3c(F)cccc3Cl)no2)cnc1C1(F)CCNCC1
InChIInChI=1S/C19H19ClF2N4O/c1-2-26-15(11-24-18(26)19(22)6-8-23-9-7-19)16-10-14(25-27-16)17-12(20)4-3-5-13(17)21/h3-5,10-11,23H,2,6-9H2,1H3
InChIKeyMKXCECHNTLUQPV-UHFFFAOYSA-N
XLogP4.57
TPSA55.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.84
LogP ≤ 54.57
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-(4-fluoropiperidin-4-yl)imidazol-4-yl]-1,2-oxazole?
The IUPAC name of 3-(2-chloro-6-fluorophenyl)-5-[3-ethyl-2-(4-fluoropiperidin-4-yl)imidazol-4-yl]-1,2-oxazole (CID 44580290) is 3-(2-chloro-6-fluorophenyl)-5-[3-ethyl-2-(4-fluoropiperidin-4-yl)imidazol-4-yl]-1,2-oxazole.
What is the SMILES notation for 3-(2-chloro-6-fluorophenyl)-5-[3-ethyl-2-(4-fluoropiperidin-4-yl)imidazol-4-yl]-1,2-oxazole?
The canonical SMILES for 3-(2-chloro-6-fluorophenyl)-5-[3-ethyl-2-(4-fluoropiperidin-4-yl)imidazol-4-yl]-1,2-oxazole is CCn1c(-c2cc(-c3c(F)cccc3Cl)no2)cnc1C1(F)CCNCC1.
What is the InChIKey of 3-(2-chloro-6-fluorophenyl)-5-[3-ethyl-2-(4-fluoropiperidin-4-yl)imidazol-4-yl]-1,2-oxazole?
The InChIKey is MKXCECHNTLUQPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClF2N4O/c1-2-26-15(11-24-18(26)19(22)6-8-23-9-7-19)16-10-14(25-27-16)17-12(20)4-3-5-13(17)21/h3-5,10-11,23H,2,6-9H2,1H3.
What are the key properties of 3-(2-chloro-6-fluorophenyl)-5-[3-ethyl-2-(4-fluoropiperidin-4-yl)imidazol-4-yl]-1,2-oxazole?
3-(2-chloro-6-fluorophenyl)-5-[3-ethyl-2-(4-fluoropiperidin-4-yl)imidazol-4-yl]-1,2-oxazole has a molecular weight of 392.84 g/mol, XLogP of 4.57, 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-(4-fluoropiperidin-4-yl)imidazol-4-yl]-1,2-oxazole is sourced from PubChem (CID 44580290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).