2-(5-acetylthiophen-3-yl)-N-[(1R)-1-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)ethyl]acetamide

C15H19N3O3S — CID 125177731

IUPAC2-(5-acetylthiophen-3-yl)-N-[(1R)-1-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)ethyl]acetamide
SMILESCC(=O)c1cc(CC(=O)N[C@H](C)c2nnc(C(C)C)o2)cs1
InChIInChI=1S/C15H19N3O3S/c1-8(2)14-17-18-15(21-14)9(3)16-13(20)6-11-5-12(10(4)19)22-7-11/h5,7-9H,6H2,1-4H3,(H,16,20)/t9-/m1/s1
InChIKeyRGIXPBDGELTELP-SECBINFHSA-N
MW321.40 g/mol
LogP2.88
Rot. Bonds6

About 2-(5-acetylthiophen-3-yl)-N-[(1R)-1-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)ethyl]acetamide

2-(5-acetylthiophen-3-yl)-N-[(1R)-1-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)ethyl]acetamide (PubChem CID 125177731) has the molecular formula C15H19N3O3S and a molecular weight of 321.40 g/mol. Its IUPAC name is 2-(5-acetylthiophen-3-yl)-N-[(1R)-1-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-(5-acetylthiophen-3-yl)-N-[(1R)-1-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)ethyl]acetamide
PubChem CID125177731
Molecular FormulaC15H19N3O3S
Molecular Weight321.40 g/mol
Exact Mass321.11
IUPAC Name2-(5-acetylthiophen-3-yl)-N-[(1R)-1-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)ethyl]acetamide
SMILESCC(=O)c1cc(CC(=O)N[C@H](C)c2nnc(C(C)C)o2)cs1
InChIInChI=1S/C15H19N3O3S/c1-8(2)14-17-18-15(21-14)9(3)16-13(20)6-11-5-12(10(4)19)22-7-11/h5,7-9H,6H2,1-4H3,(H,16,20)/t9-/m1/s1
InChIKeyRGIXPBDGELTELP-SECBINFHSA-N
XLogP2.88
TPSA85.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.40
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(5-acetylthiophen-3-yl)-N-[(1R)-1-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)ethyl]acetamide?
The IUPAC name of 2-(5-acetylthiophen-3-yl)-N-[(1R)-1-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)ethyl]acetamide (CID 125177731) is 2-(5-acetylthiophen-3-yl)-N-[(1R)-1-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)ethyl]acetamide.
What is the SMILES notation for 2-(5-acetylthiophen-3-yl)-N-[(1R)-1-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)ethyl]acetamide?
The canonical SMILES for 2-(5-acetylthiophen-3-yl)-N-[(1R)-1-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)ethyl]acetamide is CC(=O)c1cc(CC(=O)N[C@H](C)c2nnc(C(C)C)o2)cs1.
What is the InChIKey of 2-(5-acetylthiophen-3-yl)-N-[(1R)-1-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)ethyl]acetamide?
The InChIKey is RGIXPBDGELTELP-SECBINFHSA-N. The full InChI is InChI=1S/C15H19N3O3S/c1-8(2)14-17-18-15(21-14)9(3)16-13(20)6-11-5-12(10(4)19)22-7-11/h5,7-9H,6H2,1-4H3,(H,16,20)/t9-/m1/s1.
What are the key properties of 2-(5-acetylthiophen-3-yl)-N-[(1R)-1-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)ethyl]acetamide?
2-(5-acetylthiophen-3-yl)-N-[(1R)-1-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)ethyl]acetamide has a molecular weight of 321.40 g/mol, XLogP of 2.88, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-acetylthiophen-3-yl)-N-[(1R)-1-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)ethyl]acetamide is sourced from PubChem (CID 125177731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).