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

C18H19ClN4O3 — CID 9254768

IUPACN-(2-chlorophenyl)-2-[[5-(2,5-dimethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]methyl-methylamino]acetamide
SMILESCc1cc(-c2nnc(CN(C)CC(=O)Nc3ccccc3Cl)o2)c(C)o1
InChIInChI=1S/C18H19ClN4O3/c1-11-8-13(12(2)25-11)18-22-21-17(26-18)10-23(3)9-16(24)20-15-7-5-4-6-14(15)19/h4-8H,9-10H2,1-3H3,(H,20,24)
InChIKeyMNPRUJHQXGMRAA-UHFFFAOYSA-N
MW374.83 g/mol
LogP3.67
Rot. Bonds6

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

N-(2-chlorophenyl)-2-[[5-(2,5-dimethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]methyl-methylamino]acetamide (PubChem CID 9254768) has the molecular formula C18H19ClN4O3 and a molecular weight of 374.83 g/mol. Its IUPAC name is N-(2-chlorophenyl)-2-[[5-(2,5-dimethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]methyl-methylamino]acetamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)-2-[[5-(2,5-dimethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]methyl-methylamino]acetamide
PubChem CID9254768
Molecular FormulaC18H19ClN4O3
Molecular Weight374.83 g/mol
Exact Mass374.11
IUPAC NameN-(2-chlorophenyl)-2-[[5-(2,5-dimethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]methyl-methylamino]acetamide
SMILESCc1cc(-c2nnc(CN(C)CC(=O)Nc3ccccc3Cl)o2)c(C)o1
InChIInChI=1S/C18H19ClN4O3/c1-11-8-13(12(2)25-11)18-22-21-17(26-18)10-23(3)9-16(24)20-15-7-5-4-6-14(15)19/h4-8H,9-10H2,1-3H3,(H,20,24)
InChIKeyMNPRUJHQXGMRAA-UHFFFAOYSA-N
XLogP3.67
TPSA84.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.83
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl-methylamino]-N-(2,4,6-trimethylphenyl)acetamide
CID 55410713
methyl 2-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl-methylamino]acetate
CID 60670430
2-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl-methylamino]-N-(4-methylphenyl)acetamide
CID 8785340
N-(2-chlorophenyl)-2-[[5-(3,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 7562337
N-(2-bromophenyl)-2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl-methylamino]acetamide
CID 24681132
N-(4-bromo-2-methylphenyl)-2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl-methylamino]acetamide
CID 31378293
N-(2-chlorophenyl)-2-[(2-hydroxy-4,5-dimethylphenyl)methyl-methylamino]acetamide
CID 51109549
N-(2-chlorophenyl)-2-[(4-methoxyphenyl)methyl-methylamino]acetamide
CID 8761356
N-(2-chlorophenyl)-2-[(3,4-dimethoxyphenyl)methyl-methylamino]acetamide
CID 2698878
2-[[5-(2,5-dimethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2-methoxyphenyl)acetamide
CID 42208990
2-[[5-(2,4-dichlorophenyl)-1,3,4-oxadiazol-2-yl]methyl-methylamino]acetamide
CID 47395100
2-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl-propylamino]-N-(2-methoxy-5-methylphenyl)acetamide
CID 78825031

Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-2-[[5-(2,5-dimethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]methyl-methylamino]acetamide?
The IUPAC name of N-(2-chlorophenyl)-2-[[5-(2,5-dimethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]methyl-methylamino]acetamide (CID 9254768) is N-(2-chlorophenyl)-2-[[5-(2,5-dimethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]methyl-methylamino]acetamide.
What is the SMILES notation for N-(2-chlorophenyl)-2-[[5-(2,5-dimethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]methyl-methylamino]acetamide?
The canonical SMILES for N-(2-chlorophenyl)-2-[[5-(2,5-dimethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]methyl-methylamino]acetamide is Cc1cc(-c2nnc(CN(C)CC(=O)Nc3ccccc3Cl)o2)c(C)o1.
What is the InChIKey of N-(2-chlorophenyl)-2-[[5-(2,5-dimethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]methyl-methylamino]acetamide?
The InChIKey is MNPRUJHQXGMRAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN4O3/c1-11-8-13(12(2)25-11)18-22-21-17(26-18)10-23(3)9-16(24)20-15-7-5-4-6-14(15)19/h4-8H,9-10H2,1-3H3,(H,20,24).
What are the key properties of N-(2-chlorophenyl)-2-[[5-(2,5-dimethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]methyl-methylamino]acetamide?
N-(2-chlorophenyl)-2-[[5-(2,5-dimethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]methyl-methylamino]acetamide has a molecular weight of 374.83 g/mol, XLogP of 3.67, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-2-[[5-(2,5-dimethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]methyl-methylamino]acetamide is sourced from PubChem (CID 9254768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).