N-(2,3-dimethylphenyl)-N-[4-[[4-(1,3,4-oxadiazol-2-yl)phenoxy]methyl]-1,3-thiazol-2-yl]acetamide

C22H20N4O3S — CID 38928978

IUPACN-(2,3-dimethylphenyl)-N-[4-[[4-(1,3,4-oxadiazol-2-yl)phenoxy]methyl]-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)N(c1nc(COc2ccc(-c3nnco3)cc2)cs1)c1cccc(C)c1C
InChIInChI=1S/C22H20N4O3S/c1-14-5-4-6-20(15(14)2)26(16(3)27)22-24-18(12-30-22)11-28-19-9-7-17(8-10-19)21-25-23-13-29-21/h4-10,12-13H,11H2,1-3H3
InChIKeyMAZUFRMQTBRFEE-UHFFFAOYSA-N
MW420.49 g/mol
LogP5.07
Rot. Bonds6

About N-(2,3-dimethylphenyl)-N-[4-[[4-(1,3,4-oxadiazol-2-yl)phenoxy]methyl]-1,3-thiazol-2-yl]acetamide

N-(2,3-dimethylphenyl)-N-[4-[[4-(1,3,4-oxadiazol-2-yl)phenoxy]methyl]-1,3-thiazol-2-yl]acetamide (PubChem CID 38928978) has the molecular formula C22H20N4O3S and a molecular weight of 420.49 g/mol. Its IUPAC name is N-(2,3-dimethylphenyl)-N-[4-[[4-(1,3,4-oxadiazol-2-yl)phenoxy]methyl]-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound NameN-(2,3-dimethylphenyl)-N-[4-[[4-(1,3,4-oxadiazol-2-yl)phenoxy]methyl]-1,3-thiazol-2-yl]acetamide
PubChem CID38928978
Molecular FormulaC22H20N4O3S
Molecular Weight420.49 g/mol
Exact Mass420.13
IUPAC NameN-(2,3-dimethylphenyl)-N-[4-[[4-(1,3,4-oxadiazol-2-yl)phenoxy]methyl]-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)N(c1nc(COc2ccc(-c3nnco3)cc2)cs1)c1cccc(C)c1C
InChIInChI=1S/C22H20N4O3S/c1-14-5-4-6-20(15(14)2)26(16(3)27)22-24-18(12-30-22)11-28-19-9-7-17(8-10-19)21-25-23-13-29-21/h4-10,12-13H,11H2,1-3H3
InChIKeyMAZUFRMQTBRFEE-UHFFFAOYSA-N
XLogP5.07
TPSA81.35 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.49
LogP ≤ 55.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

N-[4-[[4-(1,3,4-oxadiazol-2-yl)phenoxy]methyl]-1,3-thiazol-2-yl]-N-phenylacetamide
CID 16611578
N-[4-[(3-cyanophenoxy)methyl]-1,3-thiazol-2-yl]-N-(2,3-dimethylphenyl)acetamide
CID 55579138
N-[4-[(2,6-dichlorophenoxy)methyl]-1,3-thiazol-2-yl]-N-(2,3-dimethylphenyl)acetamide
CID 24684744
[2-(N-acetyl-2,3-dimethylanilino)-1,3-thiazol-4-yl]methyl 2-(4-ethylphenoxy)acetate
CID 55316654
[2-(N-acetyl-2,3-dimethylanilino)-1,3-thiazol-4-yl]methyl (Z)-2-methylpent-2-enoate
CID 56511208
N-(2,3-dimethylphenyl)-N-[4-[(2-oxo-4-propylchromen-7-yl)oxymethyl]-1,3-thiazol-2-yl]acetamide
CID 38916891
2-[[2-(N-acetyl-2,3-dimethylanilino)-1,3-thiazol-4-yl]methoxy]-5-chlorobenzamide
CID 24598889
[2-(N-acetyl-2,3-dimethylanilino)-1,3-thiazol-4-yl]methyl 2-amino-3-methylbenzoate
CID 55562461
N-[4-[[4-(4-cyanophenyl)phenoxy]methyl]-1,3-thiazol-2-yl]-N-(2-ethylphenyl)acetamide
CID 38902175
[2-(N-acetyl-2,3-dimethylanilino)-1,3-thiazol-4-yl]methyl 2-[4-(difluoromethoxy)phenyl]acetate
CID 55386184
[2-(N-acetyl-2,3-dimethylanilino)-1,3-thiazol-4-yl]methyl 3-acetamidobenzoate
CID 55315666
N-(2,3-dimethylphenyl)-N-[4-[(2-methylphenyl)sulfanylmethyl]-1,3-thiazol-2-yl]acetamide
CID 52728155

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethylphenyl)-N-[4-[[4-(1,3,4-oxadiazol-2-yl)phenoxy]methyl]-1,3-thiazol-2-yl]acetamide?
The IUPAC name of N-(2,3-dimethylphenyl)-N-[4-[[4-(1,3,4-oxadiazol-2-yl)phenoxy]methyl]-1,3-thiazol-2-yl]acetamide (CID 38928978) is N-(2,3-dimethylphenyl)-N-[4-[[4-(1,3,4-oxadiazol-2-yl)phenoxy]methyl]-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for N-(2,3-dimethylphenyl)-N-[4-[[4-(1,3,4-oxadiazol-2-yl)phenoxy]methyl]-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for N-(2,3-dimethylphenyl)-N-[4-[[4-(1,3,4-oxadiazol-2-yl)phenoxy]methyl]-1,3-thiazol-2-yl]acetamide is CC(=O)N(c1nc(COc2ccc(-c3nnco3)cc2)cs1)c1cccc(C)c1C.
What is the InChIKey of N-(2,3-dimethylphenyl)-N-[4-[[4-(1,3,4-oxadiazol-2-yl)phenoxy]methyl]-1,3-thiazol-2-yl]acetamide?
The InChIKey is MAZUFRMQTBRFEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4O3S/c1-14-5-4-6-20(15(14)2)26(16(3)27)22-24-18(12-30-22)11-28-19-9-7-17(8-10-19)21-25-23-13-29-21/h4-10,12-13H,11H2,1-3H3.
What are the key properties of N-(2,3-dimethylphenyl)-N-[4-[[4-(1,3,4-oxadiazol-2-yl)phenoxy]methyl]-1,3-thiazol-2-yl]acetamide?
N-(2,3-dimethylphenyl)-N-[4-[[4-(1,3,4-oxadiazol-2-yl)phenoxy]methyl]-1,3-thiazol-2-yl]acetamide has a molecular weight of 420.49 g/mol, XLogP of 5.07, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dimethylphenyl)-N-[4-[[4-(1,3,4-oxadiazol-2-yl)phenoxy]methyl]-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 38928978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).