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

C13H17N3O3S — CID 47011302

IUPACN-(3-methoxypropyl)-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide
SMILESCOCCCNC(=O)CCc1nc(-c2ccsc2)no1
InChIInChI=1S/C13H17N3O3S/c1-18-7-2-6-14-11(17)3-4-12-15-13(16-19-12)10-5-8-20-9-10/h5,8-9H,2-4,6-7H2,1H3,(H,14,17)
InChIKeyDAPGVNNRKDYJNX-UHFFFAOYSA-N
MW295.36 g/mol
LogP1.88
Rot. Bonds8

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

N-(3-methoxypropyl)-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide (PubChem CID 47011302) has the molecular formula C13H17N3O3S and a molecular weight of 295.36 g/mol. Its IUPAC name is N-(3-methoxypropyl)-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide.

Molecular Properties

Compound NameN-(3-methoxypropyl)-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide
PubChem CID47011302
Molecular FormulaC13H17N3O3S
Molecular Weight295.36 g/mol
Exact Mass295.10
IUPAC NameN-(3-methoxypropyl)-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide
SMILESCOCCCNC(=O)CCc1nc(-c2ccsc2)no1
InChIInChI=1S/C13H17N3O3S/c1-18-7-2-6-14-11(17)3-4-12-15-13(16-19-12)10-5-8-20-9-10/h5,8-9H,2-4,6-7H2,1H3,(H,14,17)
InChIKeyDAPGVNNRKDYJNX-UHFFFAOYSA-N
XLogP1.88
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.36
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(3-methoxypropyl)-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide?
The IUPAC name of N-(3-methoxypropyl)-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide (CID 47011302) is N-(3-methoxypropyl)-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide.
What is the SMILES notation for N-(3-methoxypropyl)-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide?
The canonical SMILES for N-(3-methoxypropyl)-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide is COCCCNC(=O)CCc1nc(-c2ccsc2)no1.
What is the InChIKey of N-(3-methoxypropyl)-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide?
The InChIKey is DAPGVNNRKDYJNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O3S/c1-18-7-2-6-14-11(17)3-4-12-15-13(16-19-12)10-5-8-20-9-10/h5,8-9H,2-4,6-7H2,1H3,(H,14,17).
What are the key properties of N-(3-methoxypropyl)-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide?
N-(3-methoxypropyl)-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide has a molecular weight of 295.36 g/mol, XLogP of 1.88, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxypropyl)-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide is sourced from PubChem (CID 47011302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).