N-[(4-chlorophenyl)methyl]-2-[3-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-2,5-dimethylpyrrol-1-yl]acetamide

C21H19ClN4O3 — CID 53155482

IUPACN-[(4-chlorophenyl)methyl]-2-[3-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-2,5-dimethylpyrrol-1-yl]acetamide
SMILESCc1cc(-c2nnc(-c3ccco3)o2)c(C)n1CC(=O)NCc1ccc(Cl)cc1
InChIInChI=1S/C21H19ClN4O3/c1-13-10-17(20-24-25-21(29-20)18-4-3-9-28-18)14(2)26(13)12-19(27)23-11-15-5-7-16(22)8-6-15/h3-10H,11-12H2,1-2H3,(H,23,27)
InChIKeyXGGGXBPGUQELBU-UHFFFAOYSA-N
MW410.86 g/mol
LogP4.38
Rot. Bonds6

About N-[(4-chlorophenyl)methyl]-2-[3-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-2,5-dimethylpyrrol-1-yl]acetamide

N-[(4-chlorophenyl)methyl]-2-[3-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-2,5-dimethylpyrrol-1-yl]acetamide (PubChem CID 53155482) has the molecular formula C21H19ClN4O3 and a molecular weight of 410.86 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-2-[3-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-2,5-dimethylpyrrol-1-yl]acetamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-2-[3-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-2,5-dimethylpyrrol-1-yl]acetamide
PubChem CID53155482
Molecular FormulaC21H19ClN4O3
Molecular Weight410.86 g/mol
Exact Mass410.11
IUPAC NameN-[(4-chlorophenyl)methyl]-2-[3-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-2,5-dimethylpyrrol-1-yl]acetamide
SMILESCc1cc(-c2nnc(-c3ccco3)o2)c(C)n1CC(=O)NCc1ccc(Cl)cc1
InChIInChI=1S/C21H19ClN4O3/c1-13-10-17(20-24-25-21(29-20)18-4-3-9-28-18)14(2)26(13)12-19(27)23-11-15-5-7-16(22)8-6-15/h3-10H,11-12H2,1-2H3,(H,23,27)
InChIKeyXGGGXBPGUQELBU-UHFFFAOYSA-N
XLogP4.38
TPSA86.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.86
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-propylazanium
CID 9371191
N-[(2,4-difluorophenyl)methyl]-2-[3-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-2,5-dimethylpyrrol-1-yl]acetamide
CID 53155528
2-[2,5-dimethyl-3-(2-methyl-1,3-thiazol-4-yl)pyrrol-1-yl]-N-(furan-2-ylmethyl)acetamide
CID 24631708
N-benzyl-2-[2-(furan-2-yl)benzimidazol-1-yl]acetamide
CID 863504
N-[(4-fluorophenyl)methyl]-2-[2-(furan-2-yl)benzimidazol-1-yl]acetamide
CID 17033340
2-[2,5-dimethyl-3-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrol-1-yl]-N-(2,3-dimethylphenyl)acetamide
CID 53155219
N-[(4-chlorophenyl)methyl]-3-(furan-2-yl)-5-methyl-1,2-oxazole-4-carboxamide
CID 110682415
N-(4-chlorophenyl)-3-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide
CID 655667
methyl 1-[2-[(3-chlorophenyl)methylamino]-2-oxoethyl]-5-(furan-2-yl)pyrrole-2-carboxylate
CID 22522120
2-[3-(benzenesulfonyl)-4,6-dimethyl-2-oxo-1-pyridinyl]-N-[(4-chlorophenyl)methyl]acetamide
CID 53054653
N-[[3-chloro-4-(furan-2-yl)phenyl]methyl]acetamide
CID 168528492
N-[(4-chlorophenyl)methyl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
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Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-2-[3-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-2,5-dimethylpyrrol-1-yl]acetamide?
The IUPAC name of N-[(4-chlorophenyl)methyl]-2-[3-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-2,5-dimethylpyrrol-1-yl]acetamide (CID 53155482) is N-[(4-chlorophenyl)methyl]-2-[3-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-2,5-dimethylpyrrol-1-yl]acetamide.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-2-[3-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-2,5-dimethylpyrrol-1-yl]acetamide?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-2-[3-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-2,5-dimethylpyrrol-1-yl]acetamide is Cc1cc(-c2nnc(-c3ccco3)o2)c(C)n1CC(=O)NCc1ccc(Cl)cc1.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-2-[3-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-2,5-dimethylpyrrol-1-yl]acetamide?
The InChIKey is XGGGXBPGUQELBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19ClN4O3/c1-13-10-17(20-24-25-21(29-20)18-4-3-9-28-18)14(2)26(13)12-19(27)23-11-15-5-7-16(22)8-6-15/h3-10H,11-12H2,1-2H3,(H,23,27).
What are the key properties of N-[(4-chlorophenyl)methyl]-2-[3-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-2,5-dimethylpyrrol-1-yl]acetamide?
N-[(4-chlorophenyl)methyl]-2-[3-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-2,5-dimethylpyrrol-1-yl]acetamide has a molecular weight of 410.86 g/mol, XLogP of 4.38, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-2-[3-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-2,5-dimethylpyrrol-1-yl]acetamide is sourced from PubChem (CID 53155482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).