1-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]-N-(4-phenyl-1,3-thiazol-2-yl)-N-prop-2-enylpiperidine-4-carboxamide

C26H23N5O3S — CID 43062783

IUPAC1-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]-N-(4-phenyl-1,3-thiazol-2-yl)-N-prop-2-enylpiperidine-4-carboxamide
SMILESC=CCN(C(=O)C1CCN(c2oc(-c3ccco3)nc2C#N)CC1)c1nc(-c2ccccc2)cs1
InChIInChI=1S/C26H23N5O3S/c1-2-12-31(26-29-21(17-35-26)18-7-4-3-5-8-18)24(32)19-10-13-30(14-11-19)25-20(16-27)28-23(34-25)22-9-6-15-33-22/h2-9,15,17,19H,1,10-14H2
InChIKeyVJDVLPPVELKDNA-UHFFFAOYSA-N
MW485.57 g/mol
LogP5.37
Rot. Bonds7

About 1-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]-N-(4-phenyl-1,3-thiazol-2-yl)-N-prop-2-enylpiperidine-4-carboxamide

1-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]-N-(4-phenyl-1,3-thiazol-2-yl)-N-prop-2-enylpiperidine-4-carboxamide (PubChem CID 43062783) has the molecular formula C26H23N5O3S and a molecular weight of 485.57 g/mol. Its IUPAC name is 1-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]-N-(4-phenyl-1,3-thiazol-2-yl)-N-prop-2-enylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]-N-(4-phenyl-1,3-thiazol-2-yl)-N-prop-2-enylpiperidine-4-carboxamide
PubChem CID43062783
Molecular FormulaC26H23N5O3S
Molecular Weight485.57 g/mol
Exact Mass485.15
IUPAC Name1-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]-N-(4-phenyl-1,3-thiazol-2-yl)-N-prop-2-enylpiperidine-4-carboxamide
SMILESC=CCN(C(=O)C1CCN(c2oc(-c3ccco3)nc2C#N)CC1)c1nc(-c2ccccc2)cs1
InChIInChI=1S/C26H23N5O3S/c1-2-12-31(26-29-21(17-35-26)18-7-4-3-5-8-18)24(32)19-10-13-30(14-11-19)25-20(16-27)28-23(34-25)22-9-6-15-33-22/h2-9,15,17,19H,1,10-14H2
InChIKeyVJDVLPPVELKDNA-UHFFFAOYSA-N
XLogP5.37
TPSA99.40 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500485.57
LogP ≤ 55.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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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-(4-phenyl-1,3-thiazol-2-yl)-N-prop-2-enylpiperidine-4-carboxamide?
The IUPAC name of 1-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]-N-(4-phenyl-1,3-thiazol-2-yl)-N-prop-2-enylpiperidine-4-carboxamide (CID 43062783) is 1-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]-N-(4-phenyl-1,3-thiazol-2-yl)-N-prop-2-enylpiperidine-4-carboxamide.
What is the SMILES notation for 1-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]-N-(4-phenyl-1,3-thiazol-2-yl)-N-prop-2-enylpiperidine-4-carboxamide?
The canonical SMILES for 1-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]-N-(4-phenyl-1,3-thiazol-2-yl)-N-prop-2-enylpiperidine-4-carboxamide is C=CCN(C(=O)C1CCN(c2oc(-c3ccco3)nc2C#N)CC1)c1nc(-c2ccccc2)cs1.
What is the InChIKey of 1-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]-N-(4-phenyl-1,3-thiazol-2-yl)-N-prop-2-enylpiperidine-4-carboxamide?
The InChIKey is VJDVLPPVELKDNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23N5O3S/c1-2-12-31(26-29-21(17-35-26)18-7-4-3-5-8-18)24(32)19-10-13-30(14-11-19)25-20(16-27)28-23(34-25)22-9-6-15-33-22/h2-9,15,17,19H,1,10-14H2.
What are the key properties of 1-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]-N-(4-phenyl-1,3-thiazol-2-yl)-N-prop-2-enylpiperidine-4-carboxamide?
1-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]-N-(4-phenyl-1,3-thiazol-2-yl)-N-prop-2-enylpiperidine-4-carboxamide has a molecular weight of 485.57 g/mol, XLogP of 5.37, 7 rotatable bonds, 0 hydrogen bond donors, and 8 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-(4-phenyl-1,3-thiazol-2-yl)-N-prop-2-enylpiperidine-4-carboxamide is sourced from PubChem (CID 43062783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).