N-(2,4-dimethylphenyl)-3-[3-[[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]-1,2,4-oxadiazol-5-yl]propanamide

C23H23N5O3S — CID 50809871

IUPACN-(2,4-dimethylphenyl)-3-[3-[[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]-1,2,4-oxadiazol-5-yl]propanamide
SMILESCc1cccc(-c2nnc(SCc3noc(CCC(=O)Nc4ccc(C)cc4C)n3)o2)c1
InChIInChI=1S/C23H23N5O3S/c1-14-5-4-6-17(12-14)22-26-27-23(30-22)32-13-19-25-21(31-28-19)10-9-20(29)24-18-8-7-15(2)11-16(18)3/h4-8,11-12H,9-10,13H2,1-3H3,(H,24,29)
InChIKeyLPZXVMCDLQXYRH-UHFFFAOYSA-N
MW449.54 g/mol
LogP4.91
Rot. Bonds8

About N-(2,4-dimethylphenyl)-3-[3-[[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]-1,2,4-oxadiazol-5-yl]propanamide

N-(2,4-dimethylphenyl)-3-[3-[[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]-1,2,4-oxadiazol-5-yl]propanamide (PubChem CID 50809871) has the molecular formula C23H23N5O3S and a molecular weight of 449.54 g/mol. Its IUPAC name is N-(2,4-dimethylphenyl)-3-[3-[[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]-1,2,4-oxadiazol-5-yl]propanamide.

Molecular Properties

Compound NameN-(2,4-dimethylphenyl)-3-[3-[[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]-1,2,4-oxadiazol-5-yl]propanamide
PubChem CID50809871
Molecular FormulaC23H23N5O3S
Molecular Weight449.54 g/mol
Exact Mass449.15
IUPAC NameN-(2,4-dimethylphenyl)-3-[3-[[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]-1,2,4-oxadiazol-5-yl]propanamide
SMILESCc1cccc(-c2nnc(SCc3noc(CCC(=O)Nc4ccc(C)cc4C)n3)o2)c1
InChIInChI=1S/C23H23N5O3S/c1-14-5-4-6-17(12-14)22-26-27-23(30-22)32-13-19-25-21(31-28-19)10-9-20(29)24-18-8-7-15(2)11-16(18)3/h4-8,11-12H,9-10,13H2,1-3H3,(H,24,29)
InChIKeyLPZXVMCDLQXYRH-UHFFFAOYSA-N
XLogP4.91
TPSA106.94 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.54
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-(2-fluorophenyl)-3-[3-[[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]-1,2,4-oxadiazol-5-yl]propanamide
CID 50809949
N-(5-methyl-1,2-oxazol-3-yl)-3-[3-[[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]-1,2,4-oxadiazol-5-yl]propanamide
CID 50810039
N-(2,5-dimethylphenyl)-3-[3-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]-1,2,4-oxadiazol-5-yl]propanamide
CID 22587108
N-(2,6-dimethylphenyl)-3-[3-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]propanamide
CID 50809869
N-(2-methylphenyl)-3-[3-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]propanamide
CID 50811742
N-naphthalen-1-yl-3-[3-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]propanamide
CID 71296642
N-(3,5-dimethylphenyl)-3-[3-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]propanamide
CID 71296643
3-[3-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]-1,2,4-oxadiazol-5-yl]-N-(2,4,6-trimethylphenyl)propanamide
CID 71296628
N-(4-chloro-2-methylphenyl)-3-[3-[(5-methyl-1,3-benzoxazol-2-yl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]propanamide
CID 22587116
N-[(2,4-dimethylphenyl)carbamoyl]-2-[[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 7417136
N-(2,4-dimethylphenyl)-3-[3-[(4-thiophen-2-yl-1,3-thiazol-2-yl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]propanamide
CID 46366766
N-(2,6-difluorophenyl)-3-[3-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]propanamide
CID 50812142

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethylphenyl)-3-[3-[[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]-1,2,4-oxadiazol-5-yl]propanamide?
The IUPAC name of N-(2,4-dimethylphenyl)-3-[3-[[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]-1,2,4-oxadiazol-5-yl]propanamide (CID 50809871) is N-(2,4-dimethylphenyl)-3-[3-[[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]-1,2,4-oxadiazol-5-yl]propanamide.
What is the SMILES notation for N-(2,4-dimethylphenyl)-3-[3-[[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]-1,2,4-oxadiazol-5-yl]propanamide?
The canonical SMILES for N-(2,4-dimethylphenyl)-3-[3-[[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]-1,2,4-oxadiazol-5-yl]propanamide is Cc1cccc(-c2nnc(SCc3noc(CCC(=O)Nc4ccc(C)cc4C)n3)o2)c1.
What is the InChIKey of N-(2,4-dimethylphenyl)-3-[3-[[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]-1,2,4-oxadiazol-5-yl]propanamide?
The InChIKey is LPZXVMCDLQXYRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N5O3S/c1-14-5-4-6-17(12-14)22-26-27-23(30-22)32-13-19-25-21(31-28-19)10-9-20(29)24-18-8-7-15(2)11-16(18)3/h4-8,11-12H,9-10,13H2,1-3H3,(H,24,29).
What are the key properties of N-(2,4-dimethylphenyl)-3-[3-[[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]-1,2,4-oxadiazol-5-yl]propanamide?
N-(2,4-dimethylphenyl)-3-[3-[[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]-1,2,4-oxadiazol-5-yl]propanamide has a molecular weight of 449.54 g/mol, XLogP of 4.91, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethylphenyl)-3-[3-[[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]-1,2,4-oxadiazol-5-yl]propanamide is sourced from PubChem (CID 50809871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).