N-(3-phenyl-1,2-oxazol-5-yl)-3-piperidin-1-ylbutanamide

C18H23N3O2 — CID 3070618

IUPACN-(3-phenyl-1,2-oxazol-5-yl)-3-piperidin-1-ylbutanamide
SMILESCC(CC(=O)Nc1cc(-c2ccccc2)no1)N1CCCCC1
InChIInChI=1S/C18H23N3O2/c1-14(21-10-6-3-7-11-21)12-17(22)19-18-13-16(20-23-18)15-8-4-2-5-9-15/h2,4-5,8-9,13-14H,3,6-7,10-12H2,1H3,(H,19,22)
InChIKeyFQIGUKPEJBVYCJ-UHFFFAOYSA-N
MW313.40 g/mol
LogP3.54
Rot. Bonds5

About N-(3-phenyl-1,2-oxazol-5-yl)-3-piperidin-1-ylbutanamide

N-(3-phenyl-1,2-oxazol-5-yl)-3-piperidin-1-ylbutanamide (PubChem CID 3070618) has the molecular formula C18H23N3O2 and a molecular weight of 313.40 g/mol. Its IUPAC name is N-(3-phenyl-1,2-oxazol-5-yl)-3-piperidin-1-ylbutanamide.

Molecular Properties

Compound NameN-(3-phenyl-1,2-oxazol-5-yl)-3-piperidin-1-ylbutanamide
PubChem CID3070618
Molecular FormulaC18H23N3O2
Molecular Weight313.40 g/mol
Exact Mass313.18
IUPAC NameN-(3-phenyl-1,2-oxazol-5-yl)-3-piperidin-1-ylbutanamide
SMILESCC(CC(=O)Nc1cc(-c2ccccc2)no1)N1CCCCC1
InChIInChI=1S/C18H23N3O2/c1-14(21-10-6-3-7-11-21)12-17(22)19-18-13-16(20-23-18)15-8-4-2-5-9-15/h2,4-5,8-9,13-14H,3,6-7,10-12H2,1H3,(H,19,22)
InChIKeyFQIGUKPEJBVYCJ-UHFFFAOYSA-N
XLogP3.54
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-phenyl-1,2-oxazol-5-yl)-3-piperidin-1-ylbutanamide?
The IUPAC name of N-(3-phenyl-1,2-oxazol-5-yl)-3-piperidin-1-ylbutanamide (CID 3070618) is N-(3-phenyl-1,2-oxazol-5-yl)-3-piperidin-1-ylbutanamide.
What is the SMILES notation for N-(3-phenyl-1,2-oxazol-5-yl)-3-piperidin-1-ylbutanamide?
The canonical SMILES for N-(3-phenyl-1,2-oxazol-5-yl)-3-piperidin-1-ylbutanamide is CC(CC(=O)Nc1cc(-c2ccccc2)no1)N1CCCCC1.
What is the InChIKey of N-(3-phenyl-1,2-oxazol-5-yl)-3-piperidin-1-ylbutanamide?
The InChIKey is FQIGUKPEJBVYCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O2/c1-14(21-10-6-3-7-11-21)12-17(22)19-18-13-16(20-23-18)15-8-4-2-5-9-15/h2,4-5,8-9,13-14H,3,6-7,10-12H2,1H3,(H,19,22).
What are the key properties of N-(3-phenyl-1,2-oxazol-5-yl)-3-piperidin-1-ylbutanamide?
N-(3-phenyl-1,2-oxazol-5-yl)-3-piperidin-1-ylbutanamide has a molecular weight of 313.40 g/mol, XLogP of 3.54, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-phenyl-1,2-oxazol-5-yl)-3-piperidin-1-ylbutanamide is sourced from PubChem (CID 3070618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).