5-(1-butanoylpiperidin-3-yl)-N-phenyl-1,2-oxazole-3-carboxamide

C19H23N3O3 — CID 46943660

IUPAC5-(1-butanoylpiperidin-3-yl)-N-phenyl-1,2-oxazole-3-carboxamide
SMILESCCCC(=O)N1CCCC(c2cc(C(=O)Nc3ccccc3)no2)C1
InChIInChI=1S/C19H23N3O3/c1-2-7-18(23)22-11-6-8-14(13-22)17-12-16(21-25-17)19(24)20-15-9-4-3-5-10-15/h3-5,9-10,12,14H,2,6-8,11,13H2,1H3,(H,20,24)
InChIKeyZUXMSMQJXKULAT-UHFFFAOYSA-N
MW341.41 g/mol
LogP3.43
Rot. Bonds5

About 5-(1-butanoylpiperidin-3-yl)-N-phenyl-1,2-oxazole-3-carboxamide

5-(1-butanoylpiperidin-3-yl)-N-phenyl-1,2-oxazole-3-carboxamide (PubChem CID 46943660) has the molecular formula C19H23N3O3 and a molecular weight of 341.41 g/mol. Its IUPAC name is 5-(1-butanoylpiperidin-3-yl)-N-phenyl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-(1-butanoylpiperidin-3-yl)-N-phenyl-1,2-oxazole-3-carboxamide
PubChem CID46943660
Molecular FormulaC19H23N3O3
Molecular Weight341.41 g/mol
Exact Mass341.17
IUPAC Name5-(1-butanoylpiperidin-3-yl)-N-phenyl-1,2-oxazole-3-carboxamide
SMILESCCCC(=O)N1CCCC(c2cc(C(=O)Nc3ccccc3)no2)C1
InChIInChI=1S/C19H23N3O3/c1-2-7-18(23)22-11-6-8-14(13-22)17-12-16(21-25-17)19(24)20-15-9-4-3-5-10-15/h3-5,9-10,12,14H,2,6-8,11,13H2,1H3,(H,20,24)
InChIKeyZUXMSMQJXKULAT-UHFFFAOYSA-N
XLogP3.43
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(1-butanoylpiperidin-3-yl)-N-phenyl-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-(1-butanoylpiperidin-3-yl)-N-phenyl-1,2-oxazole-3-carboxamide (CID 46943660) is 5-(1-butanoylpiperidin-3-yl)-N-phenyl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-(1-butanoylpiperidin-3-yl)-N-phenyl-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-(1-butanoylpiperidin-3-yl)-N-phenyl-1,2-oxazole-3-carboxamide is CCCC(=O)N1CCCC(c2cc(C(=O)Nc3ccccc3)no2)C1.
What is the InChIKey of 5-(1-butanoylpiperidin-3-yl)-N-phenyl-1,2-oxazole-3-carboxamide?
The InChIKey is ZUXMSMQJXKULAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O3/c1-2-7-18(23)22-11-6-8-14(13-22)17-12-16(21-25-17)19(24)20-15-9-4-3-5-10-15/h3-5,9-10,12,14H,2,6-8,11,13H2,1H3,(H,20,24).
What are the key properties of 5-(1-butanoylpiperidin-3-yl)-N-phenyl-1,2-oxazole-3-carboxamide?
5-(1-butanoylpiperidin-3-yl)-N-phenyl-1,2-oxazole-3-carboxamide has a molecular weight of 341.41 g/mol, XLogP of 3.43, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-butanoylpiperidin-3-yl)-N-phenyl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 46943660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).