N-[3-(4-fluorophenyl)phenyl]-1-(4-methyl-1,3-oxazole-5-carbonyl)piperidine-3-carboxamide

C23H22FN3O3 — CID 24790772

IUPACN-[3-(4-fluorophenyl)phenyl]-1-(4-methyl-1,3-oxazole-5-carbonyl)piperidine-3-carboxamide
SMILESCc1ncoc1C(=O)N1CCCC(C(=O)Nc2cccc(-c3ccc(F)cc3)c2)C1
InChIInChI=1S/C23H22FN3O3/c1-15-21(30-14-25-15)23(29)27-11-3-5-18(13-27)22(28)26-20-6-2-4-17(12-20)16-7-9-19(24)10-8-16/h2,4,6-10,12,14,18H,3,5,11,13H2,1H3,(H,26,28)
InChIKeyFHJHZCVHUKTTBK-UHFFFAOYSA-N
MW407.45 g/mol
LogP4.28
Rot. Bonds4

About N-[3-(4-fluorophenyl)phenyl]-1-(4-methyl-1,3-oxazole-5-carbonyl)piperidine-3-carboxamide

N-[3-(4-fluorophenyl)phenyl]-1-(4-methyl-1,3-oxazole-5-carbonyl)piperidine-3-carboxamide (PubChem CID 24790772) has the molecular formula C23H22FN3O3 and a molecular weight of 407.45 g/mol. Its IUPAC name is N-[3-(4-fluorophenyl)phenyl]-1-(4-methyl-1,3-oxazole-5-carbonyl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-[3-(4-fluorophenyl)phenyl]-1-(4-methyl-1,3-oxazole-5-carbonyl)piperidine-3-carboxamide
PubChem CID24790772
Molecular FormulaC23H22FN3O3
Molecular Weight407.45 g/mol
Exact Mass407.16
IUPAC NameN-[3-(4-fluorophenyl)phenyl]-1-(4-methyl-1,3-oxazole-5-carbonyl)piperidine-3-carboxamide
SMILESCc1ncoc1C(=O)N1CCCC(C(=O)Nc2cccc(-c3ccc(F)cc3)c2)C1
InChIInChI=1S/C23H22FN3O3/c1-15-21(30-14-25-15)23(29)27-11-3-5-18(13-27)22(28)26-20-6-2-4-17(12-20)16-7-9-19(24)10-8-16/h2,4,6-10,12,14,18H,3,5,11,13H2,1H3,(H,26,28)
InChIKeyFHJHZCVHUKTTBK-UHFFFAOYSA-N
XLogP4.28
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.45
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[3-(4-fluorophenyl)phenyl]-1-(4-methyl-1,3-oxazole-5-carbonyl)piperidine-3-carboxamide?
The IUPAC name of N-[3-(4-fluorophenyl)phenyl]-1-(4-methyl-1,3-oxazole-5-carbonyl)piperidine-3-carboxamide (CID 24790772) is N-[3-(4-fluorophenyl)phenyl]-1-(4-methyl-1,3-oxazole-5-carbonyl)piperidine-3-carboxamide.
What is the SMILES notation for N-[3-(4-fluorophenyl)phenyl]-1-(4-methyl-1,3-oxazole-5-carbonyl)piperidine-3-carboxamide?
The canonical SMILES for N-[3-(4-fluorophenyl)phenyl]-1-(4-methyl-1,3-oxazole-5-carbonyl)piperidine-3-carboxamide is Cc1ncoc1C(=O)N1CCCC(C(=O)Nc2cccc(-c3ccc(F)cc3)c2)C1.
What is the InChIKey of N-[3-(4-fluorophenyl)phenyl]-1-(4-methyl-1,3-oxazole-5-carbonyl)piperidine-3-carboxamide?
The InChIKey is FHJHZCVHUKTTBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22FN3O3/c1-15-21(30-14-25-15)23(29)27-11-3-5-18(13-27)22(28)26-20-6-2-4-17(12-20)16-7-9-19(24)10-8-16/h2,4,6-10,12,14,18H,3,5,11,13H2,1H3,(H,26,28).
What are the key properties of N-[3-(4-fluorophenyl)phenyl]-1-(4-methyl-1,3-oxazole-5-carbonyl)piperidine-3-carboxamide?
N-[3-(4-fluorophenyl)phenyl]-1-(4-methyl-1,3-oxazole-5-carbonyl)piperidine-3-carboxamide has a molecular weight of 407.45 g/mol, XLogP of 4.28, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-fluorophenyl)phenyl]-1-(4-methyl-1,3-oxazole-5-carbonyl)piperidine-3-carboxamide is sourced from PubChem (CID 24790772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).