2-(4-chlorophenyl)-N-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-4-methyl-N-propyl-1,3-thiazole-5-carboxamide

C21H19ClN4O3S — CID 32570401

IUPAC2-(4-chlorophenyl)-N-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-4-methyl-N-propyl-1,3-thiazole-5-carboxamide
SMILESCCCN(Cc1nnc(-c2ccco2)o1)C(=O)c1sc(-c2ccc(Cl)cc2)nc1C
InChIInChI=1S/C21H19ClN4O3S/c1-3-10-26(12-17-24-25-19(29-17)16-5-4-11-28-16)21(27)18-13(2)23-20(30-18)14-6-8-15(22)9-7-14/h4-9,11H,3,10,12H2,1-2H3
InChIKeyHXIMXPPGJCVGMU-UHFFFAOYSA-N
MW442.93 g/mol
LogP5.47
Rot. Bonds7

About 2-(4-chlorophenyl)-N-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-4-methyl-N-propyl-1,3-thiazole-5-carboxamide

2-(4-chlorophenyl)-N-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-4-methyl-N-propyl-1,3-thiazole-5-carboxamide (PubChem CID 32570401) has the molecular formula C21H19ClN4O3S and a molecular weight of 442.93 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-N-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-4-methyl-N-propyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)-N-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-4-methyl-N-propyl-1,3-thiazole-5-carboxamide
PubChem CID32570401
Molecular FormulaC21H19ClN4O3S
Molecular Weight442.93 g/mol
Exact Mass442.09
IUPAC Name2-(4-chlorophenyl)-N-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-4-methyl-N-propyl-1,3-thiazole-5-carboxamide
SMILESCCCN(Cc1nnc(-c2ccco2)o1)C(=O)c1sc(-c2ccc(Cl)cc2)nc1C
InChIInChI=1S/C21H19ClN4O3S/c1-3-10-26(12-17-24-25-19(29-17)16-5-4-11-28-16)21(27)18-13(2)23-20(30-18)14-6-8-15(22)9-7-14/h4-9,11H,3,10,12H2,1-2H3
InChIKeyHXIMXPPGJCVGMU-UHFFFAOYSA-N
XLogP5.47
TPSA85.26 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.93
LogP ≤ 55.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

N-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-4-methoxy-N-propylbenzamide
CID 26172473
1-benzyl-N-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-N-propylpyrazole-4-carboxamide
CID 32569655
2-(4-chlorophenyl)-N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-propyl-1,3-thiazole-4-carboxamide
CID 55432986
1-[(4-fluorophenyl)methyl]-N-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-3-methyl-N-propylthieno[3,2-d]pyrazole-5-carboxamide
CID 43009997
[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl 2-(4-chlorophenyl)-4-methyl-1,3-thiazole-5-carboxylate
CID 46660082
(3R)-1-(4-chlorobenzoyl)-N-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-N-propylpiperidine-3-carboxamide
CID 41138735
N-[4-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl-propylcarbamoyl]phenyl]thiophene-2-carboxamide
CID 32569182
(E)-3-(2-fluorophenyl)-N-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-N-propylprop-2-enamide
CID 43009982
2-(4-chlorophenyl)-N-[2-(furan-2-carbonylamino)ethyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 24683000
N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-cyclopropyl-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide
CID 16563402
2-(4-chlorophenyl)-N,4-dimethyl-N-(thiophen-2-ylmethyl)-1,3-thiazole-5-carboxamide
CID 39996104
N-(5-chloro-2-cyanophenyl)-2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl-propylamino]acetamide
CID 9371265

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-N-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-4-methyl-N-propyl-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-(4-chlorophenyl)-N-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-4-methyl-N-propyl-1,3-thiazole-5-carboxamide (CID 32570401) is 2-(4-chlorophenyl)-N-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-4-methyl-N-propyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-(4-chlorophenyl)-N-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-4-methyl-N-propyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-(4-chlorophenyl)-N-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-4-methyl-N-propyl-1,3-thiazole-5-carboxamide is CCCN(Cc1nnc(-c2ccco2)o1)C(=O)c1sc(-c2ccc(Cl)cc2)nc1C.
What is the InChIKey of 2-(4-chlorophenyl)-N-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-4-methyl-N-propyl-1,3-thiazole-5-carboxamide?
The InChIKey is HXIMXPPGJCVGMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19ClN4O3S/c1-3-10-26(12-17-24-25-19(29-17)16-5-4-11-28-16)21(27)18-13(2)23-20(30-18)14-6-8-15(22)9-7-14/h4-9,11H,3,10,12H2,1-2H3.
What are the key properties of 2-(4-chlorophenyl)-N-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-4-methyl-N-propyl-1,3-thiazole-5-carboxamide?
2-(4-chlorophenyl)-N-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-4-methyl-N-propyl-1,3-thiazole-5-carboxamide has a molecular weight of 442.93 g/mol, XLogP of 5.47, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-N-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-4-methyl-N-propyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 32570401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).