3-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)amino]-N-(thiophen-2-ylmethyl)propanamide

C13H18N4O2S — CID 11346928

IUPAC3-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)amino]-N-(thiophen-2-ylmethyl)propanamide
SMILESCC(C)c1nnc(NCCC(=O)NCc2cccs2)o1
InChIInChI=1S/C13H18N4O2S/c1-9(2)12-16-17-13(19-12)14-6-5-11(18)15-8-10-4-3-7-20-10/h3-4,7,9H,5-6,8H2,1-2H3,(H,14,17)(H,15,18)
InChIKeyFDKQNOWQRDGILN-UHFFFAOYSA-N
MW294.38 g/mol
LogP2.37
Rot. Bonds7

About 3-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)amino]-N-(thiophen-2-ylmethyl)propanamide

3-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)amino]-N-(thiophen-2-ylmethyl)propanamide (PubChem CID 11346928) has the molecular formula C13H18N4O2S and a molecular weight of 294.38 g/mol. Its IUPAC name is 3-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)amino]-N-(thiophen-2-ylmethyl)propanamide.

Molecular Properties

Compound Name3-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)amino]-N-(thiophen-2-ylmethyl)propanamide
PubChem CID11346928
Molecular FormulaC13H18N4O2S
Molecular Weight294.38 g/mol
Exact Mass294.12
IUPAC Name3-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)amino]-N-(thiophen-2-ylmethyl)propanamide
SMILESCC(C)c1nnc(NCCC(=O)NCc2cccs2)o1
InChIInChI=1S/C13H18N4O2S/c1-9(2)12-16-17-13(19-12)14-6-5-11(18)15-8-10-4-3-7-20-10/h3-4,7,9H,5-6,8H2,1-2H3,(H,14,17)(H,15,18)
InChIKeyFDKQNOWQRDGILN-UHFFFAOYSA-N
XLogP2.37
TPSA80.05 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.38
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)amino]-N-(thiophen-2-ylmethyl)propanamide?
The IUPAC name of 3-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)amino]-N-(thiophen-2-ylmethyl)propanamide (CID 11346928) is 3-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)amino]-N-(thiophen-2-ylmethyl)propanamide.
What is the SMILES notation for 3-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)amino]-N-(thiophen-2-ylmethyl)propanamide?
The canonical SMILES for 3-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)amino]-N-(thiophen-2-ylmethyl)propanamide is CC(C)c1nnc(NCCC(=O)NCc2cccs2)o1.
What is the InChIKey of 3-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)amino]-N-(thiophen-2-ylmethyl)propanamide?
The InChIKey is FDKQNOWQRDGILN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O2S/c1-9(2)12-16-17-13(19-12)14-6-5-11(18)15-8-10-4-3-7-20-10/h3-4,7,9H,5-6,8H2,1-2H3,(H,14,17)(H,15,18).
What are the key properties of 3-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)amino]-N-(thiophen-2-ylmethyl)propanamide?
3-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)amino]-N-(thiophen-2-ylmethyl)propanamide has a molecular weight of 294.38 g/mol, XLogP of 2.37, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)amino]-N-(thiophen-2-ylmethyl)propanamide is sourced from PubChem (CID 11346928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).