methyl 3-[5-[4-(2-ethylpentyl)-1,3-thiazol-2-yl]-1,3,4-oxadiazol-2-yl]-2,2-dimethylpropanoate

C18H27N3O3S — CID 163498122

IUPACmethyl 3-[5-[4-(2-ethylpentyl)-1,3-thiazol-2-yl]-1,3,4-oxadiazol-2-yl]-2,2-dimethylpropanoate
SMILESCCCC(CC)Cc1csc(-c2nnc(CC(C)(C)C(=O)OC)o2)n1
InChIInChI=1S/C18H27N3O3S/c1-6-8-12(7-2)9-13-11-25-16(19-13)15-21-20-14(24-15)10-18(3,4)17(22)23-5/h11-12H,6-10H2,1-5H3
InChIKeyCSKZXGWUWKTBRG-UHFFFAOYSA-N
MW365.50 g/mol
LogP4.30
Rot. Bonds9

About methyl 3-[5-[4-(2-ethylpentyl)-1,3-thiazol-2-yl]-1,3,4-oxadiazol-2-yl]-2,2-dimethylpropanoate

methyl 3-[5-[4-(2-ethylpentyl)-1,3-thiazol-2-yl]-1,3,4-oxadiazol-2-yl]-2,2-dimethylpropanoate (PubChem CID 163498122) has the molecular formula C18H27N3O3S and a molecular weight of 365.50 g/mol. Its IUPAC name is methyl 3-[5-[4-(2-ethylpentyl)-1,3-thiazol-2-yl]-1,3,4-oxadiazol-2-yl]-2,2-dimethylpropanoate.

Molecular Properties

Compound Namemethyl 3-[5-[4-(2-ethylpentyl)-1,3-thiazol-2-yl]-1,3,4-oxadiazol-2-yl]-2,2-dimethylpropanoate
PubChem CID163498122
Molecular FormulaC18H27N3O3S
Molecular Weight365.50 g/mol
Exact Mass365.18
IUPAC Namemethyl 3-[5-[4-(2-ethylpentyl)-1,3-thiazol-2-yl]-1,3,4-oxadiazol-2-yl]-2,2-dimethylpropanoate
SMILESCCCC(CC)Cc1csc(-c2nnc(CC(C)(C)C(=O)OC)o2)n1
InChIInChI=1S/C18H27N3O3S/c1-6-8-12(7-2)9-13-11-25-16(19-13)15-21-20-14(24-15)10-18(3,4)17(22)23-5/h11-12H,6-10H2,1-5H3
InChIKeyCSKZXGWUWKTBRG-UHFFFAOYSA-N
XLogP4.30
TPSA78.11 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.50
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze methyl 3-[5-[4-(2-ethylpentyl)-1,3-thiazol-2-yl]-1,3,4-oxadiazol-2-yl]-2,2-dimethylpropanoate with MolForge

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Related Compounds

2-(2,2-dimethylpropyl)-5-[4-(2,2-dimethylpropyl)-1,3-thiazol-2-yl]-1,3,4-oxadiazole
CID 121311862
[2-[5-(2,2-dimethylpropyl)-1,3,4-oxadiazol-2-yl]-1,3-thiazol-4-yl]methanol
CID 121311867
methyl 2,2-dimethyl-3-[4-(2-methylpropyl)-1,3-thiazol-2-yl]propanoate
CID 116969019
methyl 3-[5-[5-[2,3-dichloro-4-[[(2S)-1,1,1-trifluorobutan-2-yl]sulfamoyl]phenyl]-4-(hydroxymethyl)-1,3-thiazol-2-yl]-1,3,4-oxadiazol-2-yl]-2,2-dimethylpropanoate
CID 121310139
2-[(2-phenyl-1,3-thiazol-4-yl)methyl]nonanamide
CID 175903171
3-[5-[4-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-1,3,4-oxadiazol-2-yl]-2,2-dimethylbutanoic acid
CID 121344330
methyl 2-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methylamino]-2-methylpropanoate
CID 43726131
1-(2,2-dimethylpropanoyloxy)ethyl 2-[[1-[1-(2,2-dimethylpropanoyloxy)propoxy]-1-oxo-3-(2-phenyl-1,3-thiazol-4-yl)propan-2-yl]amino]-4-methylpentanoate
CID 23572898
2-[2-oxo-3-(2-phenyl-1,3-thiazol-4-yl)propyl]heptanoic acid
CID 148689231
methyl 3-[2-(2-ethylbutylamino)-1,3-thiazol-4-yl]propanoate
CID 107040655
ethyl 3-[6-[4-(cyclobutylmethyl)-1,3-thiazol-2-yl]-2-pyridinyl]-2,2-dimethylpropanoate
CID 121301957
2-(4-chlorophenyl)-5-[[2-(4-chlorophenyl)-1,3-thiazol-4-yl]methyl]-1,3,4-oxadiazole
CID 139238037

Frequently Asked Questions

What is the IUPAC name of methyl 3-[5-[4-(2-ethylpentyl)-1,3-thiazol-2-yl]-1,3,4-oxadiazol-2-yl]-2,2-dimethylpropanoate?
The IUPAC name of methyl 3-[5-[4-(2-ethylpentyl)-1,3-thiazol-2-yl]-1,3,4-oxadiazol-2-yl]-2,2-dimethylpropanoate (CID 163498122) is methyl 3-[5-[4-(2-ethylpentyl)-1,3-thiazol-2-yl]-1,3,4-oxadiazol-2-yl]-2,2-dimethylpropanoate.
What is the SMILES notation for methyl 3-[5-[4-(2-ethylpentyl)-1,3-thiazol-2-yl]-1,3,4-oxadiazol-2-yl]-2,2-dimethylpropanoate?
The canonical SMILES for methyl 3-[5-[4-(2-ethylpentyl)-1,3-thiazol-2-yl]-1,3,4-oxadiazol-2-yl]-2,2-dimethylpropanoate is CCCC(CC)Cc1csc(-c2nnc(CC(C)(C)C(=O)OC)o2)n1.
What is the InChIKey of methyl 3-[5-[4-(2-ethylpentyl)-1,3-thiazol-2-yl]-1,3,4-oxadiazol-2-yl]-2,2-dimethylpropanoate?
The InChIKey is CSKZXGWUWKTBRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O3S/c1-6-8-12(7-2)9-13-11-25-16(19-13)15-21-20-14(24-15)10-18(3,4)17(22)23-5/h11-12H,6-10H2,1-5H3.
What are the key properties of methyl 3-[5-[4-(2-ethylpentyl)-1,3-thiazol-2-yl]-1,3,4-oxadiazol-2-yl]-2,2-dimethylpropanoate?
methyl 3-[5-[4-(2-ethylpentyl)-1,3-thiazol-2-yl]-1,3,4-oxadiazol-2-yl]-2,2-dimethylpropanoate has a molecular weight of 365.50 g/mol, XLogP of 4.30, 9 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[5-[4-(2-ethylpentyl)-1,3-thiazol-2-yl]-1,3,4-oxadiazol-2-yl]-2,2-dimethylpropanoate is sourced from PubChem (CID 163498122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).