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

C19H19FN4O2 — CID 155535245

IUPAC[4-[(4-fluorophenyl)methyl]piperidin-1-yl]-[5-(1H-pyrazol-4-yl)-1,2-oxazol-3-yl]methanone
SMILESO=C(c1cc(-c2cn[nH]c2)on1)N1CCC(Cc2ccc(F)cc2)CC1
InChIInChI=1S/C19H19FN4O2/c20-16-3-1-13(2-4-16)9-14-5-7-24(8-6-14)19(25)17-10-18(26-23-17)15-11-21-22-12-15/h1-4,10-12,14H,5-9H2,(H,21,22)
InChIKeyNOQWHMKAQIBTLR-UHFFFAOYSA-N
MW354.39 g/mol
LogP3.30
Rot. Bonds4

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

[4-[(4-fluorophenyl)methyl]piperidin-1-yl]-[5-(1H-pyrazol-4-yl)-1,2-oxazol-3-yl]methanone (PubChem CID 155535245) has the molecular formula C19H19FN4O2 and a molecular weight of 354.39 g/mol. Its IUPAC name is [4-[(4-fluorophenyl)methyl]piperidin-1-yl]-[5-(1H-pyrazol-4-yl)-1,2-oxazol-3-yl]methanone.

Molecular Properties

Compound Name[4-[(4-fluorophenyl)methyl]piperidin-1-yl]-[5-(1H-pyrazol-4-yl)-1,2-oxazol-3-yl]methanone
PubChem CID155535245
Molecular FormulaC19H19FN4O2
Molecular Weight354.39 g/mol
Exact Mass354.15
IUPAC Name[4-[(4-fluorophenyl)methyl]piperidin-1-yl]-[5-(1H-pyrazol-4-yl)-1,2-oxazol-3-yl]methanone
SMILESO=C(c1cc(-c2cn[nH]c2)on1)N1CCC(Cc2ccc(F)cc2)CC1
InChIInChI=1S/C19H19FN4O2/c20-16-3-1-13(2-4-16)9-14-5-7-24(8-6-14)19(25)17-10-18(26-23-17)15-11-21-22-12-15/h1-4,10-12,14H,5-9H2,(H,21,22)
InChIKeyNOQWHMKAQIBTLR-UHFFFAOYSA-N
XLogP3.30
TPSA75.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.39
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-[(4-fluorophenyl)methyl]piperidin-1-yl]-[5-(1H-pyrazol-4-yl)-1,2-oxazol-3-yl]methanone?
The IUPAC name of [4-[(4-fluorophenyl)methyl]piperidin-1-yl]-[5-(1H-pyrazol-4-yl)-1,2-oxazol-3-yl]methanone (CID 155535245) is [4-[(4-fluorophenyl)methyl]piperidin-1-yl]-[5-(1H-pyrazol-4-yl)-1,2-oxazol-3-yl]methanone.
What is the SMILES notation for [4-[(4-fluorophenyl)methyl]piperidin-1-yl]-[5-(1H-pyrazol-4-yl)-1,2-oxazol-3-yl]methanone?
The canonical SMILES for [4-[(4-fluorophenyl)methyl]piperidin-1-yl]-[5-(1H-pyrazol-4-yl)-1,2-oxazol-3-yl]methanone is O=C(c1cc(-c2cn[nH]c2)on1)N1CCC(Cc2ccc(F)cc2)CC1.
What is the InChIKey of [4-[(4-fluorophenyl)methyl]piperidin-1-yl]-[5-(1H-pyrazol-4-yl)-1,2-oxazol-3-yl]methanone?
The InChIKey is NOQWHMKAQIBTLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN4O2/c20-16-3-1-13(2-4-16)9-14-5-7-24(8-6-14)19(25)17-10-18(26-23-17)15-11-21-22-12-15/h1-4,10-12,14H,5-9H2,(H,21,22).
What are the key properties of [4-[(4-fluorophenyl)methyl]piperidin-1-yl]-[5-(1H-pyrazol-4-yl)-1,2-oxazol-3-yl]methanone?
[4-[(4-fluorophenyl)methyl]piperidin-1-yl]-[5-(1H-pyrazol-4-yl)-1,2-oxazol-3-yl]methanone has a molecular weight of 354.39 g/mol, XLogP of 3.30, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(4-fluorophenyl)methyl]piperidin-1-yl]-[5-(1H-pyrazol-4-yl)-1,2-oxazol-3-yl]methanone is sourced from PubChem (CID 155535245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).