N-propyl-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide

C12H15N3O2S — CID 18104891

IUPACN-propyl-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide
SMILESCCCNC(=O)CCc1nc(-c2ccsc2)no1
InChIInChI=1S/C12H15N3O2S/c1-2-6-13-10(16)3-4-11-14-12(15-17-11)9-5-7-18-8-9/h5,7-8H,2-4,6H2,1H3,(H,13,16)
InChIKeyCWNXYULILJGDSF-UHFFFAOYSA-N
MW265.34 g/mol
LogP2.26
Rot. Bonds6

About N-propyl-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide

N-propyl-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide (PubChem CID 18104891) has the molecular formula C12H15N3O2S and a molecular weight of 265.34 g/mol. Its IUPAC name is N-propyl-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide.

Molecular Properties

Compound NameN-propyl-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide
PubChem CID18104891
Molecular FormulaC12H15N3O2S
Molecular Weight265.34 g/mol
Exact Mass265.09
IUPAC NameN-propyl-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide
SMILESCCCNC(=O)CCc1nc(-c2ccsc2)no1
InChIInChI=1S/C12H15N3O2S/c1-2-6-13-10(16)3-4-11-14-12(15-17-11)9-5-7-18-8-9/h5,7-8H,2-4,6H2,1H3,(H,13,16)
InChIKeyCWNXYULILJGDSF-UHFFFAOYSA-N
XLogP2.26
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.34
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-propyl-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide?
The IUPAC name of N-propyl-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide (CID 18104891) is N-propyl-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide.
What is the SMILES notation for N-propyl-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide?
The canonical SMILES for N-propyl-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide is CCCNC(=O)CCc1nc(-c2ccsc2)no1.
What is the InChIKey of N-propyl-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide?
The InChIKey is CWNXYULILJGDSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O2S/c1-2-6-13-10(16)3-4-11-14-12(15-17-11)9-5-7-18-8-9/h5,7-8H,2-4,6H2,1H3,(H,13,16).
What are the key properties of N-propyl-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide?
N-propyl-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide has a molecular weight of 265.34 g/mol, XLogP of 2.26, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyl-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide is sourced from PubChem (CID 18104891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).