N-[(2R)-3-methylbutan-2-yl]-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanamide

C14H19N3O2S — CID 51886384

IUPACN-[(2R)-3-methylbutan-2-yl]-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanamide
SMILESCC(C)[C@@H](C)NC(=O)CCc1nnc(-c2ccsc2)o1
InChIInChI=1S/C14H19N3O2S/c1-9(2)10(3)15-12(18)4-5-13-16-17-14(19-13)11-6-7-20-8-11/h6-10H,4-5H2,1-3H3,(H,15,18)/t10-/m1/s1
InChIKeyLPIOETGWIJUGLK-SNVBAGLBSA-N
MW293.39 g/mol
LogP2.89
Rot. Bonds6

About N-[(2R)-3-methylbutan-2-yl]-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanamide

N-[(2R)-3-methylbutan-2-yl]-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanamide (PubChem CID 51886384) has the molecular formula C14H19N3O2S and a molecular weight of 293.39 g/mol. Its IUPAC name is N-[(2R)-3-methylbutan-2-yl]-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanamide.

Molecular Properties

Compound NameN-[(2R)-3-methylbutan-2-yl]-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanamide
PubChem CID51886384
Molecular FormulaC14H19N3O2S
Molecular Weight293.39 g/mol
Exact Mass293.12
IUPAC NameN-[(2R)-3-methylbutan-2-yl]-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanamide
SMILESCC(C)[C@@H](C)NC(=O)CCc1nnc(-c2ccsc2)o1
InChIInChI=1S/C14H19N3O2S/c1-9(2)10(3)15-12(18)4-5-13-16-17-14(19-13)11-6-7-20-8-11/h6-10H,4-5H2,1-3H3,(H,15,18)/t10-/m1/s1
InChIKeyLPIOETGWIJUGLK-SNVBAGLBSA-N
XLogP2.89
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.39
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-[(2R)-3-methylbutan-2-yl]-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanamide?
The IUPAC name of N-[(2R)-3-methylbutan-2-yl]-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanamide (CID 51886384) is N-[(2R)-3-methylbutan-2-yl]-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanamide.
What is the SMILES notation for N-[(2R)-3-methylbutan-2-yl]-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanamide?
The canonical SMILES for N-[(2R)-3-methylbutan-2-yl]-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanamide is CC(C)[C@@H](C)NC(=O)CCc1nnc(-c2ccsc2)o1.
What is the InChIKey of N-[(2R)-3-methylbutan-2-yl]-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanamide?
The InChIKey is LPIOETGWIJUGLK-SNVBAGLBSA-N. The full InChI is InChI=1S/C14H19N3O2S/c1-9(2)10(3)15-12(18)4-5-13-16-17-14(19-13)11-6-7-20-8-11/h6-10H,4-5H2,1-3H3,(H,15,18)/t10-/m1/s1.
What are the key properties of N-[(2R)-3-methylbutan-2-yl]-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanamide?
N-[(2R)-3-methylbutan-2-yl]-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanamide has a molecular weight of 293.39 g/mol, XLogP of 2.89, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-3-methylbutan-2-yl]-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanamide is sourced from PubChem (CID 51886384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).