N-butyl-1-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]-N-phenylpiperidine-4-carboxamide

C24H26N4O3 — CID 43062782

IUPACN-butyl-1-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]-N-phenylpiperidine-4-carboxamide
SMILESCCCCN(C(=O)C1CCN(c2oc(-c3ccco3)nc2C#N)CC1)c1ccccc1
InChIInChI=1S/C24H26N4O3/c1-2-3-13-28(19-8-5-4-6-9-19)23(29)18-11-14-27(15-12-18)24-20(17-25)26-22(31-24)21-10-7-16-30-21/h4-10,16,18H,2-3,11-15H2,1H3
InChIKeyKKGUEJCYKIBEPD-UHFFFAOYSA-N
MW418.50 g/mol
LogP4.86
Rot. Bonds7

About N-butyl-1-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]-N-phenylpiperidine-4-carboxamide

N-butyl-1-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]-N-phenylpiperidine-4-carboxamide (PubChem CID 43062782) has the molecular formula C24H26N4O3 and a molecular weight of 418.50 g/mol. Its IUPAC name is N-butyl-1-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]-N-phenylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-butyl-1-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]-N-phenylpiperidine-4-carboxamide
PubChem CID43062782
Molecular FormulaC24H26N4O3
Molecular Weight418.50 g/mol
Exact Mass418.20
IUPAC NameN-butyl-1-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]-N-phenylpiperidine-4-carboxamide
SMILESCCCCN(C(=O)C1CCN(c2oc(-c3ccco3)nc2C#N)CC1)c1ccccc1
InChIInChI=1S/C24H26N4O3/c1-2-3-13-28(19-8-5-4-6-9-19)23(29)18-11-14-27(15-12-18)24-20(17-25)26-22(31-24)21-10-7-16-30-21/h4-10,16,18H,2-3,11-15H2,1H3
InChIKeyKKGUEJCYKIBEPD-UHFFFAOYSA-N
XLogP4.86
TPSA86.51 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.50
LogP ≤ 54.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-butyl-1-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]-N-phenylpiperidine-4-carboxamide?
The IUPAC name of N-butyl-1-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]-N-phenylpiperidine-4-carboxamide (CID 43062782) is N-butyl-1-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]-N-phenylpiperidine-4-carboxamide.
What is the SMILES notation for N-butyl-1-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]-N-phenylpiperidine-4-carboxamide?
The canonical SMILES for N-butyl-1-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]-N-phenylpiperidine-4-carboxamide is CCCCN(C(=O)C1CCN(c2oc(-c3ccco3)nc2C#N)CC1)c1ccccc1.
What is the InChIKey of N-butyl-1-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]-N-phenylpiperidine-4-carboxamide?
The InChIKey is KKGUEJCYKIBEPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O3/c1-2-3-13-28(19-8-5-4-6-9-19)23(29)18-11-14-27(15-12-18)24-20(17-25)26-22(31-24)21-10-7-16-30-21/h4-10,16,18H,2-3,11-15H2,1H3.
What are the key properties of N-butyl-1-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]-N-phenylpiperidine-4-carboxamide?
N-butyl-1-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]-N-phenylpiperidine-4-carboxamide has a molecular weight of 418.50 g/mol, XLogP of 4.86, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-1-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]-N-phenylpiperidine-4-carboxamide is sourced from PubChem (CID 43062782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).