N-[(3-fluorophenyl)methyl]-2-[(4-methylpiperidin-1-yl)methyl]-1,3-oxazole-4-carboxamide

C18H22FN3O2 — CID 46043503

IUPACN-[(3-fluorophenyl)methyl]-2-[(4-methylpiperidin-1-yl)methyl]-1,3-oxazole-4-carboxamide
SMILESCC1CCN(Cc2nc(C(=O)NCc3cccc(F)c3)co2)CC1
InChIInChI=1S/C18H22FN3O2/c1-13-5-7-22(8-6-13)11-17-21-16(12-24-17)18(23)20-10-14-3-2-4-15(19)9-14/h2-4,9,12-13H,5-8,10-11H2,1H3,(H,20,23)
InChIKeyNBQGMUZCCZLPGH-UHFFFAOYSA-N
MW331.39 g/mol
LogP2.98
Rot. Bonds5

About N-[(3-fluorophenyl)methyl]-2-[(4-methylpiperidin-1-yl)methyl]-1,3-oxazole-4-carboxamide

N-[(3-fluorophenyl)methyl]-2-[(4-methylpiperidin-1-yl)methyl]-1,3-oxazole-4-carboxamide (PubChem CID 46043503) has the molecular formula C18H22FN3O2 and a molecular weight of 331.39 g/mol. Its IUPAC name is N-[(3-fluorophenyl)methyl]-2-[(4-methylpiperidin-1-yl)methyl]-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[(3-fluorophenyl)methyl]-2-[(4-methylpiperidin-1-yl)methyl]-1,3-oxazole-4-carboxamide
PubChem CID46043503
Molecular FormulaC18H22FN3O2
Molecular Weight331.39 g/mol
Exact Mass331.17
IUPAC NameN-[(3-fluorophenyl)methyl]-2-[(4-methylpiperidin-1-yl)methyl]-1,3-oxazole-4-carboxamide
SMILESCC1CCN(Cc2nc(C(=O)NCc3cccc(F)c3)co2)CC1
InChIInChI=1S/C18H22FN3O2/c1-13-5-7-22(8-6-13)11-17-21-16(12-24-17)18(23)20-10-14-3-2-4-15(19)9-14/h2-4,9,12-13H,5-8,10-11H2,1H3,(H,20,23)
InChIKeyNBQGMUZCCZLPGH-UHFFFAOYSA-N
XLogP2.98
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.39
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(3-fluorophenyl)methyl]-2-[(4-methylpiperidin-1-yl)methyl]-1,3-oxazole-4-carboxamide?
The IUPAC name of N-[(3-fluorophenyl)methyl]-2-[(4-methylpiperidin-1-yl)methyl]-1,3-oxazole-4-carboxamide (CID 46043503) is N-[(3-fluorophenyl)methyl]-2-[(4-methylpiperidin-1-yl)methyl]-1,3-oxazole-4-carboxamide.
What is the SMILES notation for N-[(3-fluorophenyl)methyl]-2-[(4-methylpiperidin-1-yl)methyl]-1,3-oxazole-4-carboxamide?
The canonical SMILES for N-[(3-fluorophenyl)methyl]-2-[(4-methylpiperidin-1-yl)methyl]-1,3-oxazole-4-carboxamide is CC1CCN(Cc2nc(C(=O)NCc3cccc(F)c3)co2)CC1.
What is the InChIKey of N-[(3-fluorophenyl)methyl]-2-[(4-methylpiperidin-1-yl)methyl]-1,3-oxazole-4-carboxamide?
The InChIKey is NBQGMUZCCZLPGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FN3O2/c1-13-5-7-22(8-6-13)11-17-21-16(12-24-17)18(23)20-10-14-3-2-4-15(19)9-14/h2-4,9,12-13H,5-8,10-11H2,1H3,(H,20,23).
What are the key properties of N-[(3-fluorophenyl)methyl]-2-[(4-methylpiperidin-1-yl)methyl]-1,3-oxazole-4-carboxamide?
N-[(3-fluorophenyl)methyl]-2-[(4-methylpiperidin-1-yl)methyl]-1,3-oxazole-4-carboxamide has a molecular weight of 331.39 g/mol, XLogP of 2.98, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-fluorophenyl)methyl]-2-[(4-methylpiperidin-1-yl)methyl]-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 46043503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).