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

C12H13N3O2S — CID 9076662

IUPACN-prop-2-enyl-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide
SMILESC=CCNC(=O)CCc1nc(-c2ccsc2)no1
InChIInChI=1S/C12H13N3O2S/c1-2-6-13-10(16)3-4-11-14-12(15-17-11)9-5-7-18-8-9/h2,5,7-8H,1,3-4,6H2,(H,13,16)
InChIKeyMHVQXGAIMILUOQ-UHFFFAOYSA-N
MW263.32 g/mol
LogP2.03
Rot. Bonds6

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

N-prop-2-enyl-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide (PubChem CID 9076662) has the molecular formula C12H13N3O2S and a molecular weight of 263.32 g/mol. Its IUPAC name is N-prop-2-enyl-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide.

Molecular Properties

Compound NameN-prop-2-enyl-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide
PubChem CID9076662
Molecular FormulaC12H13N3O2S
Molecular Weight263.32 g/mol
Exact Mass263.07
IUPAC NameN-prop-2-enyl-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide
SMILESC=CCNC(=O)CCc1nc(-c2ccsc2)no1
InChIInChI=1S/C12H13N3O2S/c1-2-6-13-10(16)3-4-11-14-12(15-17-11)9-5-7-18-8-9/h2,5,7-8H,1,3-4,6H2,(H,13,16)
InChIKeyMHVQXGAIMILUOQ-UHFFFAOYSA-N
XLogP2.03
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.32
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-prop-2-enyl-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide?
The IUPAC name of N-prop-2-enyl-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide (CID 9076662) is N-prop-2-enyl-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide.
What is the SMILES notation for N-prop-2-enyl-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide?
The canonical SMILES for N-prop-2-enyl-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide is C=CCNC(=O)CCc1nc(-c2ccsc2)no1.
What is the InChIKey of N-prop-2-enyl-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide?
The InChIKey is MHVQXGAIMILUOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O2S/c1-2-6-13-10(16)3-4-11-14-12(15-17-11)9-5-7-18-8-9/h2,5,7-8H,1,3-4,6H2,(H,13,16).
What are the key properties of N-prop-2-enyl-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide?
N-prop-2-enyl-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide has a molecular weight of 263.32 g/mol, XLogP of 2.03, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-prop-2-enyl-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide is sourced from PubChem (CID 9076662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).