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

C12H13N3O2S — CID 90607864

IUPACN-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)thiophen-3-yl]propanamide
SMILESCCC(=O)Nc1ccsc1-c1nc(C2CC2)no1
InChIInChI=1S/C12H13N3O2S/c1-2-9(16)13-8-5-6-18-10(8)12-14-11(15-17-12)7-3-4-7/h5-7H,2-4H2,1H3,(H,13,16)
InChIKeyJOLDDNSHOIXKOB-UHFFFAOYSA-N
MW263.32 g/mol
LogP3.02
Rot. Bonds4

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

N-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)thiophen-3-yl]propanamide (PubChem CID 90607864) has the molecular formula C12H13N3O2S and a molecular weight of 263.32 g/mol. Its IUPAC name is N-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)thiophen-3-yl]propanamide.

Molecular Properties

Compound NameN-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)thiophen-3-yl]propanamide
PubChem CID90607864
Molecular FormulaC12H13N3O2S
Molecular Weight263.32 g/mol
Exact Mass263.07
IUPAC NameN-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)thiophen-3-yl]propanamide
SMILESCCC(=O)Nc1ccsc1-c1nc(C2CC2)no1
InChIInChI=1S/C12H13N3O2S/c1-2-9(16)13-8-5-6-18-10(8)12-14-11(15-17-12)7-3-4-7/h5-7H,2-4H2,1H3,(H,13,16)
InChIKeyJOLDDNSHOIXKOB-UHFFFAOYSA-N
XLogP3.02
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.32
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)thiophen-3-yl]cyclopropanecarboxamide
CID 90607872
N-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)thiophen-3-yl]pent-4-enamide
CID 90607851
N-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)thiophen-3-yl]-2-(2-fluorophenyl)acetamide
CID 90608029
N-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)thiophen-3-yl]-2-[4-(trifluoromethyl)phenyl]acetamide
CID 90608052
4-tert-butyl-N-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)thiophen-3-yl]benzamide
CID 90607888
1-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)thiophen-3-yl]-3-(2-methoxyethyl)urea
CID 90608125
N-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)thiophen-3-yl]pyrimidine-2-carboxamide
CID 90608082
N-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)thiophen-3-yl]-2-indol-1-ylacetamide
CID 90607818
1-cyclohexyl-3-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)thiophen-3-yl]urea
CID 90608086
1-benzhydryl-3-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)thiophen-3-yl]urea
CID 90608121
benzyl N-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)thiophen-3-yl]carbamate
CID 90608057
N-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)thiophen-3-yl]-3,4-diethoxybenzamide
CID 90607900

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)thiophen-3-yl]propanamide?
The IUPAC name of N-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)thiophen-3-yl]propanamide (CID 90607864) is N-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)thiophen-3-yl]propanamide.
What is the SMILES notation for N-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)thiophen-3-yl]propanamide?
The canonical SMILES for N-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)thiophen-3-yl]propanamide is CCC(=O)Nc1ccsc1-c1nc(C2CC2)no1.
What is the InChIKey of N-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)thiophen-3-yl]propanamide?
The InChIKey is JOLDDNSHOIXKOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O2S/c1-2-9(16)13-8-5-6-18-10(8)12-14-11(15-17-12)7-3-4-7/h5-7H,2-4H2,1H3,(H,13,16).
What are the key properties of N-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)thiophen-3-yl]propanamide?
N-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)thiophen-3-yl]propanamide has a molecular weight of 263.32 g/mol, XLogP of 3.02, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)thiophen-3-yl]propanamide is sourced from PubChem (CID 90607864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).