N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-2-(4-methylphenyl)-N-propan-2-ylacetamide

C21H22ClN3O2 — CID 16563213

IUPACN-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-2-(4-methylphenyl)-N-propan-2-ylacetamide
SMILESCc1ccc(CC(=O)N(Cc2nnc(-c3ccccc3Cl)o2)C(C)C)cc1
InChIInChI=1S/C21H22ClN3O2/c1-14(2)25(20(26)12-16-10-8-15(3)9-11-16)13-19-23-24-21(27-19)17-6-4-5-7-18(17)22/h4-11,14H,12-13H2,1-3H3
InChIKeyFRCJBYGPOPGUOC-UHFFFAOYSA-N
MW383.88 g/mol
LogP4.68
Rot. Bonds6

About N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-2-(4-methylphenyl)-N-propan-2-ylacetamide

N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-2-(4-methylphenyl)-N-propan-2-ylacetamide (PubChem CID 16563213) has the molecular formula C21H22ClN3O2 and a molecular weight of 383.88 g/mol. Its IUPAC name is N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-2-(4-methylphenyl)-N-propan-2-ylacetamide.

Molecular Properties

Compound NameN-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-2-(4-methylphenyl)-N-propan-2-ylacetamide
PubChem CID16563213
Molecular FormulaC21H22ClN3O2
Molecular Weight383.88 g/mol
Exact Mass383.14
IUPAC NameN-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-2-(4-methylphenyl)-N-propan-2-ylacetamide
SMILESCc1ccc(CC(=O)N(Cc2nnc(-c3ccccc3Cl)o2)C(C)C)cc1
InChIInChI=1S/C21H22ClN3O2/c1-14(2)25(20(26)12-16-10-8-15(3)9-11-16)13-19-23-24-21(27-19)17-6-4-5-7-18(17)22/h4-11,14H,12-13H2,1-3H3
InChIKeyFRCJBYGPOPGUOC-UHFFFAOYSA-N
XLogP4.68
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.88
LogP ≤ 54.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-2-(6-chloro-3-pyridinyl)-N-propan-2-ylacetamide
CID 86933441
N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-propan-2-yl-2-[4-(trifluoromethoxy)phenyl]acetamide
CID 55758034
N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-2-(2,3-dihydro-1H-inden-5-yl)-N-propan-2-ylacetamide
CID 8890866
N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-N-propan-2-ylacetamide
CID 112794812
N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-propan-2-yl-1-benzofuran-2-carboxamide
CID 8698129
N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-3-methyl-N-propan-2-ylfuran-2-carboxamide
CID 51240926
2-(4-chloro-2-methylphenoxy)-N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-propan-2-ylacetamide
CID 112794827
N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-2-(2,4-dichlorophenoxy)-N-propan-2-ylacetamide
CID 55332629
N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-2-(2-phenoxyethoxy)-N-propan-2-ylacetamide
CID 55758153
3-acetamido-N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-3-phenyl-N-propan-2-ylpropanamide
CID 55332563
N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-2-(4-methylpiperidin-1-yl)-N-propan-2-ylacetamide
CID 8557942
4-(4-chloro-3-methylphenoxy)-N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-propan-2-ylbutanamide
CID 112794817

Frequently Asked Questions

What is the IUPAC name of N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-2-(4-methylphenyl)-N-propan-2-ylacetamide?
The IUPAC name of N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-2-(4-methylphenyl)-N-propan-2-ylacetamide (CID 16563213) is N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-2-(4-methylphenyl)-N-propan-2-ylacetamide.
What is the SMILES notation for N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-2-(4-methylphenyl)-N-propan-2-ylacetamide?
The canonical SMILES for N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-2-(4-methylphenyl)-N-propan-2-ylacetamide is Cc1ccc(CC(=O)N(Cc2nnc(-c3ccccc3Cl)o2)C(C)C)cc1.
What is the InChIKey of N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-2-(4-methylphenyl)-N-propan-2-ylacetamide?
The InChIKey is FRCJBYGPOPGUOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22ClN3O2/c1-14(2)25(20(26)12-16-10-8-15(3)9-11-16)13-19-23-24-21(27-19)17-6-4-5-7-18(17)22/h4-11,14H,12-13H2,1-3H3.
What are the key properties of N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-2-(4-methylphenyl)-N-propan-2-ylacetamide?
N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-2-(4-methylphenyl)-N-propan-2-ylacetamide has a molecular weight of 383.88 g/mol, XLogP of 4.68, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-2-(4-methylphenyl)-N-propan-2-ylacetamide is sourced from PubChem (CID 16563213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).