1-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]-N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-N-methylpiperidine-4-carboxamide

C24H24F2N4O5 — CID 55628723

IUPAC1-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]-N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-N-methylpiperidine-4-carboxamide
SMILESCOc1cc(CN(C)C(=O)C2CCN(c3oc(-c4ccco4)nc3C#N)CC2)ccc1OC(F)F
InChIInChI=1S/C24H24F2N4O5/c1-29(14-15-5-6-18(34-24(25)26)20(12-15)32-2)22(31)16-7-9-30(10-8-16)23-17(13-27)28-21(35-23)19-4-3-11-33-19/h3-6,11-12,16,24H,7-10,14H2,1-2H3
InChIKeyWOMQGCLFFALFIZ-UHFFFAOYSA-N
MW486.48 g/mol
LogP4.29
Rot. Bonds8

About 1-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]-N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-N-methylpiperidine-4-carboxamide

1-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]-N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-N-methylpiperidine-4-carboxamide (PubChem CID 55628723) has the molecular formula C24H24F2N4O5 and a molecular weight of 486.48 g/mol. Its IUPAC name is 1-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]-N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-N-methylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]-N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-N-methylpiperidine-4-carboxamide
PubChem CID55628723
Molecular FormulaC24H24F2N4O5
Molecular Weight486.48 g/mol
Exact Mass486.17
IUPAC Name1-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]-N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-N-methylpiperidine-4-carboxamide
SMILESCOc1cc(CN(C)C(=O)C2CCN(c3oc(-c4ccco4)nc3C#N)CC2)ccc1OC(F)F
InChIInChI=1S/C24H24F2N4O5/c1-29(14-15-5-6-18(34-24(25)26)20(12-15)32-2)22(31)16-7-9-30(10-8-16)23-17(13-27)28-21(35-23)19-4-3-11-33-19/h3-6,11-12,16,24H,7-10,14H2,1-2H3
InChIKeyWOMQGCLFFALFIZ-UHFFFAOYSA-N
XLogP4.29
TPSA104.97 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.48
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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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-(difluoromethoxy)-3-methoxyphenyl]methyl]-N-methylpiperidine-4-carboxamide?
The IUPAC name of 1-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]-N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-N-methylpiperidine-4-carboxamide (CID 55628723) is 1-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]-N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-N-methylpiperidine-4-carboxamide.
What is the SMILES notation for 1-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]-N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-N-methylpiperidine-4-carboxamide?
The canonical SMILES for 1-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]-N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-N-methylpiperidine-4-carboxamide is COc1cc(CN(C)C(=O)C2CCN(c3oc(-c4ccco4)nc3C#N)CC2)ccc1OC(F)F.
What is the InChIKey of 1-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]-N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-N-methylpiperidine-4-carboxamide?
The InChIKey is WOMQGCLFFALFIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24F2N4O5/c1-29(14-15-5-6-18(34-24(25)26)20(12-15)32-2)22(31)16-7-9-30(10-8-16)23-17(13-27)28-21(35-23)19-4-3-11-33-19/h3-6,11-12,16,24H,7-10,14H2,1-2H3.
What are the key properties of 1-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]-N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-N-methylpiperidine-4-carboxamide?
1-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]-N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-N-methylpiperidine-4-carboxamide has a molecular weight of 486.48 g/mol, XLogP of 4.29, 8 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-(difluoromethoxy)-3-methoxyphenyl]methyl]-N-methylpiperidine-4-carboxamide is sourced from PubChem (CID 55628723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).