1-[1-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]piperidin-3-yl]imidazolidin-2-one

C18H21FN4O2 — CID 56821549

IUPAC1-[1-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]piperidin-3-yl]imidazolidin-2-one
SMILESO=C1NCCN1C1CCCN(Cc2coc(-c3ccc(F)cc3)n2)C1
InChIInChI=1S/C18H21FN4O2/c19-14-5-3-13(4-6-14)17-21-15(12-25-17)10-22-8-1-2-16(11-22)23-9-7-20-18(23)24/h3-6,12,16H,1-2,7-11H2,(H,20,24)
InChIKeyHVMQFAVPOLVXLK-UHFFFAOYSA-N
MW344.39 g/mol
LogP2.47
Rot. Bonds4

About 1-[1-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]piperidin-3-yl]imidazolidin-2-one

1-[1-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]piperidin-3-yl]imidazolidin-2-one (PubChem CID 56821549) has the molecular formula C18H21FN4O2 and a molecular weight of 344.39 g/mol. Its IUPAC name is 1-[1-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]piperidin-3-yl]imidazolidin-2-one.

Molecular Properties

Compound Name1-[1-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]piperidin-3-yl]imidazolidin-2-one
PubChem CID56821549
Molecular FormulaC18H21FN4O2
Molecular Weight344.39 g/mol
Exact Mass344.16
IUPAC Name1-[1-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]piperidin-3-yl]imidazolidin-2-one
SMILESO=C1NCCN1C1CCCN(Cc2coc(-c3ccc(F)cc3)n2)C1
InChIInChI=1S/C18H21FN4O2/c19-14-5-3-13(4-6-14)17-21-15(12-25-17)10-22-8-1-2-16(11-22)23-9-7-20-18(23)24/h3-6,12,16H,1-2,7-11H2,(H,20,24)
InChIKeyHVMQFAVPOLVXLK-UHFFFAOYSA-N
XLogP2.47
TPSA61.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.39
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[1-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]piperidin-3-yl]imidazolidin-2-one?
The IUPAC name of 1-[1-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]piperidin-3-yl]imidazolidin-2-one (CID 56821549) is 1-[1-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]piperidin-3-yl]imidazolidin-2-one.
What is the SMILES notation for 1-[1-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]piperidin-3-yl]imidazolidin-2-one?
The canonical SMILES for 1-[1-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]piperidin-3-yl]imidazolidin-2-one is O=C1NCCN1C1CCCN(Cc2coc(-c3ccc(F)cc3)n2)C1.
What is the InChIKey of 1-[1-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]piperidin-3-yl]imidazolidin-2-one?
The InChIKey is HVMQFAVPOLVXLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN4O2/c19-14-5-3-13(4-6-14)17-21-15(12-25-17)10-22-8-1-2-16(11-22)23-9-7-20-18(23)24/h3-6,12,16H,1-2,7-11H2,(H,20,24).
What are the key properties of 1-[1-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]piperidin-3-yl]imidazolidin-2-one?
1-[1-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]piperidin-3-yl]imidazolidin-2-one has a molecular weight of 344.39 g/mol, XLogP of 2.47, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]piperidin-3-yl]imidazolidin-2-one is sourced from PubChem (CID 56821549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).