[3-[(4-fluorophenyl)methyl]-1,2-oxazol-5-yl]-[2-(1-methylimidazol-2-yl)piperidin-1-yl]methanone

C20H21FN4O2 — CID 45201349

IUPAC[3-[(4-fluorophenyl)methyl]-1,2-oxazol-5-yl]-[2-(1-methylimidazol-2-yl)piperidin-1-yl]methanone
SMILESCn1ccnc1C1CCCCN1C(=O)c1cc(Cc2ccc(F)cc2)no1
InChIInChI=1S/C20H21FN4O2/c1-24-11-9-22-19(24)17-4-2-3-10-25(17)20(26)18-13-16(23-27-18)12-14-5-7-15(21)8-6-14/h5-9,11,13,17H,2-4,10,12H2,1H3
InChIKeyOSUMFLNMMQVLHC-UHFFFAOYSA-N
MW368.41 g/mol
LogP3.51
Rot. Bonds4

About [3-[(4-fluorophenyl)methyl]-1,2-oxazol-5-yl]-[2-(1-methylimidazol-2-yl)piperidin-1-yl]methanone

[3-[(4-fluorophenyl)methyl]-1,2-oxazol-5-yl]-[2-(1-methylimidazol-2-yl)piperidin-1-yl]methanone (PubChem CID 45201349) has the molecular formula C20H21FN4O2 and a molecular weight of 368.41 g/mol. Its IUPAC name is [3-[(4-fluorophenyl)methyl]-1,2-oxazol-5-yl]-[2-(1-methylimidazol-2-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name[3-[(4-fluorophenyl)methyl]-1,2-oxazol-5-yl]-[2-(1-methylimidazol-2-yl)piperidin-1-yl]methanone
PubChem CID45201349
Molecular FormulaC20H21FN4O2
Molecular Weight368.41 g/mol
Exact Mass368.16
IUPAC Name[3-[(4-fluorophenyl)methyl]-1,2-oxazol-5-yl]-[2-(1-methylimidazol-2-yl)piperidin-1-yl]methanone
SMILESCn1ccnc1C1CCCCN1C(=O)c1cc(Cc2ccc(F)cc2)no1
InChIInChI=1S/C20H21FN4O2/c1-24-11-9-22-19(24)17-4-2-3-10-25(17)20(26)18-13-16(23-27-18)12-14-5-7-15(21)8-6-14/h5-9,11,13,17H,2-4,10,12H2,1H3
InChIKeyOSUMFLNMMQVLHC-UHFFFAOYSA-N
XLogP3.51
TPSA64.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.41
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [3-[(4-fluorophenyl)methyl]-1,2-oxazol-5-yl]-[2-(1-methylimidazol-2-yl)piperidin-1-yl]methanone?
The IUPAC name of [3-[(4-fluorophenyl)methyl]-1,2-oxazol-5-yl]-[2-(1-methylimidazol-2-yl)piperidin-1-yl]methanone (CID 45201349) is [3-[(4-fluorophenyl)methyl]-1,2-oxazol-5-yl]-[2-(1-methylimidazol-2-yl)piperidin-1-yl]methanone.
What is the SMILES notation for [3-[(4-fluorophenyl)methyl]-1,2-oxazol-5-yl]-[2-(1-methylimidazol-2-yl)piperidin-1-yl]methanone?
The canonical SMILES for [3-[(4-fluorophenyl)methyl]-1,2-oxazol-5-yl]-[2-(1-methylimidazol-2-yl)piperidin-1-yl]methanone is Cn1ccnc1C1CCCCN1C(=O)c1cc(Cc2ccc(F)cc2)no1.
What is the InChIKey of [3-[(4-fluorophenyl)methyl]-1,2-oxazol-5-yl]-[2-(1-methylimidazol-2-yl)piperidin-1-yl]methanone?
The InChIKey is OSUMFLNMMQVLHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN4O2/c1-24-11-9-22-19(24)17-4-2-3-10-25(17)20(26)18-13-16(23-27-18)12-14-5-7-15(21)8-6-14/h5-9,11,13,17H,2-4,10,12H2,1H3.
What are the key properties of [3-[(4-fluorophenyl)methyl]-1,2-oxazol-5-yl]-[2-(1-methylimidazol-2-yl)piperidin-1-yl]methanone?
[3-[(4-fluorophenyl)methyl]-1,2-oxazol-5-yl]-[2-(1-methylimidazol-2-yl)piperidin-1-yl]methanone has a molecular weight of 368.41 g/mol, XLogP of 3.51, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(4-fluorophenyl)methyl]-1,2-oxazol-5-yl]-[2-(1-methylimidazol-2-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 45201349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).