1-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]-N-cyclopropyl-N-(4-ethylcyclohexyl)piperidine-4-carboxamide

C25H32N4O3 — CID 55670274

IUPAC1-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]-N-cyclopropyl-N-(4-ethylcyclohexyl)piperidine-4-carboxamide
SMILESCCC1CCC(N(C(=O)C2CCN(c3oc(-c4ccco4)nc3C#N)CC2)C2CC2)CC1
InChIInChI=1S/C25H32N4O3/c1-2-17-5-7-19(8-6-17)29(20-9-10-20)24(30)18-11-13-28(14-12-18)25-21(16-26)27-23(32-25)22-4-3-15-31-22/h3-4,15,17-20H,2,5-14H2,1H3
InChIKeyDTLOGNIYIOWSFR-UHFFFAOYSA-N
MW436.56 g/mol
LogP4.98
Rot. Bonds6

About 1-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]-N-cyclopropyl-N-(4-ethylcyclohexyl)piperidine-4-carboxamide

1-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]-N-cyclopropyl-N-(4-ethylcyclohexyl)piperidine-4-carboxamide (PubChem CID 55670274) has the molecular formula C25H32N4O3 and a molecular weight of 436.56 g/mol. Its IUPAC name is 1-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]-N-cyclopropyl-N-(4-ethylcyclohexyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]-N-cyclopropyl-N-(4-ethylcyclohexyl)piperidine-4-carboxamide
PubChem CID55670274
Molecular FormulaC25H32N4O3
Molecular Weight436.56 g/mol
Exact Mass436.25
IUPAC Name1-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]-N-cyclopropyl-N-(4-ethylcyclohexyl)piperidine-4-carboxamide
SMILESCCC1CCC(N(C(=O)C2CCN(c3oc(-c4ccco4)nc3C#N)CC2)C2CC2)CC1
InChIInChI=1S/C25H32N4O3/c1-2-17-5-7-19(8-6-17)29(20-9-10-20)24(30)18-11-13-28(14-12-18)25-21(16-26)27-23(32-25)22-4-3-15-31-22/h3-4,15,17-20H,2,5-14H2,1H3
InChIKeyDTLOGNIYIOWSFR-UHFFFAOYSA-N
XLogP4.98
TPSA86.51 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.56
LogP ≤ 54.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]-N-cyclopropyl-N-(4-ethylcyclohexyl)piperidine-4-carboxamide?
The IUPAC name of 1-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]-N-cyclopropyl-N-(4-ethylcyclohexyl)piperidine-4-carboxamide (CID 55670274) is 1-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]-N-cyclopropyl-N-(4-ethylcyclohexyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]-N-cyclopropyl-N-(4-ethylcyclohexyl)piperidine-4-carboxamide?
The canonical SMILES for 1-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]-N-cyclopropyl-N-(4-ethylcyclohexyl)piperidine-4-carboxamide is CCC1CCC(N(C(=O)C2CCN(c3oc(-c4ccco4)nc3C#N)CC2)C2CC2)CC1.
What is the InChIKey of 1-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]-N-cyclopropyl-N-(4-ethylcyclohexyl)piperidine-4-carboxamide?
The InChIKey is DTLOGNIYIOWSFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N4O3/c1-2-17-5-7-19(8-6-17)29(20-9-10-20)24(30)18-11-13-28(14-12-18)25-21(16-26)27-23(32-25)22-4-3-15-31-22/h3-4,15,17-20H,2,5-14H2,1H3.
What are the key properties of 1-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]-N-cyclopropyl-N-(4-ethylcyclohexyl)piperidine-4-carboxamide?
1-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]-N-cyclopropyl-N-(4-ethylcyclohexyl)piperidine-4-carboxamide has a molecular weight of 436.56 g/mol, XLogP of 4.98, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]-N-cyclopropyl-N-(4-ethylcyclohexyl)piperidine-4-carboxamide is sourced from PubChem (CID 55670274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).