5-acetyl-N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-N-propan-2-ylthiophene-3-carboxamide

C15H19N3O3S — CID 77083824

IUPAC5-acetyl-N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-N-propan-2-ylthiophene-3-carboxamide
SMILESCCc1nnc(CN(C(=O)c2csc(C(C)=O)c2)C(C)C)o1
InChIInChI=1S/C15H19N3O3S/c1-5-13-16-17-14(21-13)7-18(9(2)3)15(20)11-6-12(10(4)19)22-8-11/h6,8-9H,5,7H2,1-4H3
InChIKeyKZSPFLWFLVZQOL-UHFFFAOYSA-N
MW321.40 g/mol
LogP2.95
Rot. Bonds6

About 5-acetyl-N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-N-propan-2-ylthiophene-3-carboxamide

5-acetyl-N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-N-propan-2-ylthiophene-3-carboxamide (PubChem CID 77083824) has the molecular formula C15H19N3O3S and a molecular weight of 321.40 g/mol. Its IUPAC name is 5-acetyl-N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-N-propan-2-ylthiophene-3-carboxamide.

Molecular Properties

Compound Name5-acetyl-N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-N-propan-2-ylthiophene-3-carboxamide
PubChem CID77083824
Molecular FormulaC15H19N3O3S
Molecular Weight321.40 g/mol
Exact Mass321.11
IUPAC Name5-acetyl-N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-N-propan-2-ylthiophene-3-carboxamide
SMILESCCc1nnc(CN(C(=O)c2csc(C(C)=O)c2)C(C)C)o1
InChIInChI=1S/C15H19N3O3S/c1-5-13-16-17-14(21-13)7-18(9(2)3)15(20)11-6-12(10(4)19)22-8-11/h6,8-9H,5,7H2,1-4H3
InChIKeyKZSPFLWFLVZQOL-UHFFFAOYSA-N
XLogP2.95
TPSA76.30 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.40
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-acetyl-N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-N-propan-2-ylthiophene-3-carboxamide?
The IUPAC name of 5-acetyl-N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-N-propan-2-ylthiophene-3-carboxamide (CID 77083824) is 5-acetyl-N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-N-propan-2-ylthiophene-3-carboxamide.
What is the SMILES notation for 5-acetyl-N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-N-propan-2-ylthiophene-3-carboxamide?
The canonical SMILES for 5-acetyl-N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-N-propan-2-ylthiophene-3-carboxamide is CCc1nnc(CN(C(=O)c2csc(C(C)=O)c2)C(C)C)o1.
What is the InChIKey of 5-acetyl-N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-N-propan-2-ylthiophene-3-carboxamide?
The InChIKey is KZSPFLWFLVZQOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O3S/c1-5-13-16-17-14(21-13)7-18(9(2)3)15(20)11-6-12(10(4)19)22-8-11/h6,8-9H,5,7H2,1-4H3.
What are the key properties of 5-acetyl-N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-N-propan-2-ylthiophene-3-carboxamide?
5-acetyl-N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-N-propan-2-ylthiophene-3-carboxamide has a molecular weight of 321.40 g/mol, XLogP of 2.95, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-acetyl-N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-N-propan-2-ylthiophene-3-carboxamide is sourced from PubChem (CID 77083824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).