methyl 5-[3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanoylamino]thiophene-2-carboxylate

C18H17N3O4S — CID 24509338

IUPACmethyl 5-[3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanoylamino]thiophene-2-carboxylate
SMILESCOC(=O)c1ccc(NC(=O)CCc2nnc(-c3ccc(C)cc3)o2)s1
InChIInChI=1S/C18H17N3O4S/c1-11-3-5-12(6-4-11)17-21-20-15(25-17)9-8-14(22)19-16-10-7-13(26-16)18(23)24-2/h3-7,10H,8-9H2,1-2H3,(H,19,22)
InChIKeyYIABPUVJSZNBOE-UHFFFAOYSA-N
MW371.42 g/mol
LogP3.46
Rot. Bonds6

About methyl 5-[3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanoylamino]thiophene-2-carboxylate

methyl 5-[3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanoylamino]thiophene-2-carboxylate (PubChem CID 24509338) has the molecular formula C18H17N3O4S and a molecular weight of 371.42 g/mol. Its IUPAC name is methyl 5-[3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanoylamino]thiophene-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-[3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanoylamino]thiophene-2-carboxylate
PubChem CID24509338
Molecular FormulaC18H17N3O4S
Molecular Weight371.42 g/mol
Exact Mass371.09
IUPAC Namemethyl 5-[3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanoylamino]thiophene-2-carboxylate
SMILESCOC(=O)c1ccc(NC(=O)CCc2nnc(-c3ccc(C)cc3)o2)s1
InChIInChI=1S/C18H17N3O4S/c1-11-3-5-12(6-4-11)17-21-20-15(25-17)9-8-14(22)19-16-10-7-13(26-16)18(23)24-2/h3-7,10H,8-9H2,1-2H3,(H,19,22)
InChIKeyYIABPUVJSZNBOE-UHFFFAOYSA-N
XLogP3.46
TPSA94.32 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.42
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanamide
CID 18089569
methyl 4-[2-[3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanoylamino]ethyl]benzoate
CID 55515291
N-(5-butyl-1,3,4-thiadiazol-2-yl)-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanamide
CID 51230110
3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-pyridin-2-ylpropanamide
CID 18107156
N-(3,4-dichlorophenyl)-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanamide
CID 9071658
N-[4-(diethylamino)phenyl]-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanamide
CID 55412214
N-(2-ethoxyphenyl)-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanamide
CID 51229615
3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-[5-(2-phenylpropan-2-yl)-1,3,4-thiadiazol-2-yl]propanamide
CID 86896512
N-(5-chloro-2-methylphenyl)-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanamide
CID 51229815
N-(2-methoxy-5-methylphenyl)-3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanamide
CID 29206098
N-[2-(N-methylanilino)phenyl]-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanamide
CID 55753849
N-[3-[[2-(2-methoxyphenoxy)acetyl]amino]phenyl]-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanamide
CID 55865297

Frequently Asked Questions

What is the IUPAC name of methyl 5-[3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanoylamino]thiophene-2-carboxylate?
The IUPAC name of methyl 5-[3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanoylamino]thiophene-2-carboxylate (CID 24509338) is methyl 5-[3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanoylamino]thiophene-2-carboxylate.
What is the SMILES notation for methyl 5-[3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanoylamino]thiophene-2-carboxylate?
The canonical SMILES for methyl 5-[3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanoylamino]thiophene-2-carboxylate is COC(=O)c1ccc(NC(=O)CCc2nnc(-c3ccc(C)cc3)o2)s1.
What is the InChIKey of methyl 5-[3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanoylamino]thiophene-2-carboxylate?
The InChIKey is YIABPUVJSZNBOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O4S/c1-11-3-5-12(6-4-11)17-21-20-15(25-17)9-8-14(22)19-16-10-7-13(26-16)18(23)24-2/h3-7,10H,8-9H2,1-2H3,(H,19,22).
What are the key properties of methyl 5-[3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanoylamino]thiophene-2-carboxylate?
methyl 5-[3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanoylamino]thiophene-2-carboxylate has a molecular weight of 371.42 g/mol, XLogP of 3.46, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanoylamino]thiophene-2-carboxylate is sourced from PubChem (CID 24509338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).