2-[4-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]piperazin-1-yl]-N-(5-fluoro-2-methylphenyl)propanamide

C22H22FN5O3 — CID 55591397

IUPAC2-[4-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]piperazin-1-yl]-N-(5-fluoro-2-methylphenyl)propanamide
SMILESCc1ccc(F)cc1NC(=O)C(C)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1
InChIInChI=1S/C22H22FN5O3/c1-14-5-6-16(23)12-17(14)25-20(29)15(2)27-7-9-28(10-8-27)22-18(13-24)26-21(31-22)19-4-3-11-30-19/h3-6,11-12,15H,7-10H2,1-2H3,(H,25,29)
InChIKeyIJKYOMMBLXXTES-UHFFFAOYSA-N
MW423.45 g/mol
LogP3.40
Rot. Bonds5

About 2-[4-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]piperazin-1-yl]-N-(5-fluoro-2-methylphenyl)propanamide

2-[4-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]piperazin-1-yl]-N-(5-fluoro-2-methylphenyl)propanamide (PubChem CID 55591397) has the molecular formula C22H22FN5O3 and a molecular weight of 423.45 g/mol. Its IUPAC name is 2-[4-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]piperazin-1-yl]-N-(5-fluoro-2-methylphenyl)propanamide.

Molecular Properties

Compound Name2-[4-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]piperazin-1-yl]-N-(5-fluoro-2-methylphenyl)propanamide
PubChem CID55591397
Molecular FormulaC22H22FN5O3
Molecular Weight423.45 g/mol
Exact Mass423.17
IUPAC Name2-[4-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]piperazin-1-yl]-N-(5-fluoro-2-methylphenyl)propanamide
SMILESCc1ccc(F)cc1NC(=O)C(C)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1
InChIInChI=1S/C22H22FN5O3/c1-14-5-6-16(23)12-17(14)25-20(29)15(2)27-7-9-28(10-8-27)22-18(13-24)26-21(31-22)19-4-3-11-30-19/h3-6,11-12,15H,7-10H2,1-2H3,(H,25,29)
InChIKeyIJKYOMMBLXXTES-UHFFFAOYSA-N
XLogP3.40
TPSA98.54 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.45
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]piperazin-1-yl]-N-(5-fluoro-2-methylphenyl)propanamide?
The IUPAC name of 2-[4-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]piperazin-1-yl]-N-(5-fluoro-2-methylphenyl)propanamide (CID 55591397) is 2-[4-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]piperazin-1-yl]-N-(5-fluoro-2-methylphenyl)propanamide.
What is the SMILES notation for 2-[4-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]piperazin-1-yl]-N-(5-fluoro-2-methylphenyl)propanamide?
The canonical SMILES for 2-[4-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]piperazin-1-yl]-N-(5-fluoro-2-methylphenyl)propanamide is Cc1ccc(F)cc1NC(=O)C(C)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1.
What is the InChIKey of 2-[4-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]piperazin-1-yl]-N-(5-fluoro-2-methylphenyl)propanamide?
The InChIKey is IJKYOMMBLXXTES-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22FN5O3/c1-14-5-6-16(23)12-17(14)25-20(29)15(2)27-7-9-28(10-8-27)22-18(13-24)26-21(31-22)19-4-3-11-30-19/h3-6,11-12,15H,7-10H2,1-2H3,(H,25,29).
What are the key properties of 2-[4-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]piperazin-1-yl]-N-(5-fluoro-2-methylphenyl)propanamide?
2-[4-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]piperazin-1-yl]-N-(5-fluoro-2-methylphenyl)propanamide has a molecular weight of 423.45 g/mol, XLogP of 3.40, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]piperazin-1-yl]-N-(5-fluoro-2-methylphenyl)propanamide is sourced from PubChem (CID 55591397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).