N-[2-(5-methylfuran-2-yl)-2-(4-methylpiperidin-1-yl)ethyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide;hydrochloride

C21H26ClN3O3S — CID 146052759

IUPACN-[2-(5-methylfuran-2-yl)-2-(4-methylpiperidin-1-yl)ethyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide;hydrochloride
SMILESCc1ccc(C(CNC(=O)c2cc(-c3cccs3)on2)N2CCC(C)CC2)o1.Cl
InChIInChI=1S/C21H25N3O3S.ClH/c1-14-7-9-24(10-8-14)17(18-6-5-15(2)26-18)13-22-21(25)16-12-19(27-23-16)20-4-3-11-28-20;/h3-6,11-12,14,17H,7-10,13H2,1-2H3,(H,22,25);1H
InChIKeyWVKNXUQRSFCMGX-UHFFFAOYSA-N
MW435.98 g/mol
LogP4.93
Rot. Bonds6

About N-[2-(5-methylfuran-2-yl)-2-(4-methylpiperidin-1-yl)ethyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide;hydrochloride

N-[2-(5-methylfuran-2-yl)-2-(4-methylpiperidin-1-yl)ethyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide;hydrochloride (PubChem CID 146052759) has the molecular formula C21H26ClN3O3S and a molecular weight of 435.98 g/mol. Its IUPAC name is N-[2-(5-methylfuran-2-yl)-2-(4-methylpiperidin-1-yl)ethyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[2-(5-methylfuran-2-yl)-2-(4-methylpiperidin-1-yl)ethyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide;hydrochloride
PubChem CID146052759
Molecular FormulaC21H26ClN3O3S
Molecular Weight435.98 g/mol
Exact Mass435.14
IUPAC NameN-[2-(5-methylfuran-2-yl)-2-(4-methylpiperidin-1-yl)ethyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide;hydrochloride
SMILESCc1ccc(C(CNC(=O)c2cc(-c3cccs3)on2)N2CCC(C)CC2)o1.Cl
InChIInChI=1S/C21H25N3O3S.ClH/c1-14-7-9-24(10-8-14)17(18-6-5-15(2)26-18)13-22-21(25)16-12-19(27-23-16)20-4-3-11-28-20;/h3-6,11-12,14,17H,7-10,13H2,1-2H3,(H,22,25);1H
InChIKeyWVKNXUQRSFCMGX-UHFFFAOYSA-N
XLogP4.93
TPSA71.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.98
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(2R)-2-(furan-2-yl)-2-(4-methylpiperidin-1-yl)ethyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
CID 26834379
5-(4-bromophenyl)-N-[(2R)-2-(5-methylfuran-2-yl)-2-(4-methylpiperidin-1-yl)ethyl]-1,2-oxazole-3-carboxamide
CID 26835251
5-(4-methoxyphenyl)-N-[2-(5-methylfuran-2-yl)-2-(4-methylpiperidin-1-yl)ethyl]-1,2-oxazole-3-carboxamide
CID 45155419
N-[2-(5-methylfuran-2-yl)-2-(4-methylpiperidin-1-yl)ethyl]thiadiazole-4-carboxamide;hydrochloride
CID 146052749
N-[(2R)-2-(5-methylfuran-2-yl)-2-(4-methylpiperazin-1-yl)ethyl]-5-(4-methylphenyl)-1,2-oxazole-3-carboxamide
CID 51628820
N-[2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethyl]-5-(4-methylphenyl)-1,2-oxazole-3-carboxamide;hydrochloride
CID 146052722
N-[2-(5-methylfuran-2-yl)-2-piperidin-1-ylethyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 22509660
N-[2-(5-methylfuran-2-yl)-2-piperidin-1-ylethyl]-5-(4-methylphenyl)-1,2-oxazole-3-carboxamide
CID 22509666
N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
CID 20899204
2-fluoro-N-[(2R)-2-(5-methylfuran-2-yl)-2-(4-methylpiperidin-1-yl)ethyl]benzamide
CID 26834847
N-[2-(5-methylfuran-2-yl)-2-(4-methylpiperidin-1-yl)ethyl]-2-phenylacetamide
CID 45155822
5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]-1,2-oxazole-3-carboxamide
CID 22509505

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-methylfuran-2-yl)-2-(4-methylpiperidin-1-yl)ethyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide;hydrochloride?
The IUPAC name of N-[2-(5-methylfuran-2-yl)-2-(4-methylpiperidin-1-yl)ethyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide;hydrochloride (CID 146052759) is N-[2-(5-methylfuran-2-yl)-2-(4-methylpiperidin-1-yl)ethyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide;hydrochloride.
What is the SMILES notation for N-[2-(5-methylfuran-2-yl)-2-(4-methylpiperidin-1-yl)ethyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide;hydrochloride?
The canonical SMILES for N-[2-(5-methylfuran-2-yl)-2-(4-methylpiperidin-1-yl)ethyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide;hydrochloride is Cc1ccc(C(CNC(=O)c2cc(-c3cccs3)on2)N2CCC(C)CC2)o1.Cl.
What is the InChIKey of N-[2-(5-methylfuran-2-yl)-2-(4-methylpiperidin-1-yl)ethyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide;hydrochloride?
The InChIKey is WVKNXUQRSFCMGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O3S.ClH/c1-14-7-9-24(10-8-14)17(18-6-5-15(2)26-18)13-22-21(25)16-12-19(27-23-16)20-4-3-11-28-20;/h3-6,11-12,14,17H,7-10,13H2,1-2H3,(H,22,25);1H.
What are the key properties of N-[2-(5-methylfuran-2-yl)-2-(4-methylpiperidin-1-yl)ethyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide;hydrochloride?
N-[2-(5-methylfuran-2-yl)-2-(4-methylpiperidin-1-yl)ethyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide;hydrochloride has a molecular weight of 435.98 g/mol, XLogP of 4.93, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-methylfuran-2-yl)-2-(4-methylpiperidin-1-yl)ethyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide;hydrochloride is sourced from PubChem (CID 146052759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).