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

C14H17N3O3S — CID 95092058

IUPACN-[[5-[5-[(2S)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methyl]propanamide
SMILESCCC(=O)NCc1ccc(-c2noc([C@@H]3CCCO3)n2)s1
InChIInChI=1S/C14H17N3O3S/c1-2-12(18)15-8-9-5-6-11(21-9)13-16-14(20-17-13)10-4-3-7-19-10/h5-6,10H,2-4,7-8H2,1H3,(H,15,18)/t10-/m0/s1
InChIKeyIXPWUOAXKOJAIB-JTQLQIEISA-N
MW307.38 g/mol
LogP2.68
Rot. Bonds5

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

N-[[5-[5-[(2S)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methyl]propanamide (PubChem CID 95092058) has the molecular formula C14H17N3O3S and a molecular weight of 307.38 g/mol. Its IUPAC name is N-[[5-[5-[(2S)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methyl]propanamide.

Molecular Properties

Compound NameN-[[5-[5-[(2S)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methyl]propanamide
PubChem CID95092058
Molecular FormulaC14H17N3O3S
Molecular Weight307.38 g/mol
Exact Mass307.10
IUPAC NameN-[[5-[5-[(2S)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methyl]propanamide
SMILESCCC(=O)NCc1ccc(-c2noc([C@@H]3CCCO3)n2)s1
InChIInChI=1S/C14H17N3O3S/c1-2-12(18)15-8-9-5-6-11(21-9)13-16-14(20-17-13)10-4-3-7-19-10/h5-6,10H,2-4,7-8H2,1H3,(H,15,18)/t10-/m0/s1
InChIKeyIXPWUOAXKOJAIB-JTQLQIEISA-N
XLogP2.68
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.38
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[[5-[5-[(2S)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methyl]propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[[5-[5-[(4-methylphenyl)methyl]-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methyl]propanamide
CID 53126098
N-[[3-[5-[(propanoylamino)methyl]thiophen-2-yl]-1,2,4-oxadiazol-5-yl]methyl]benzamide
CID 53126049
N-[[5-[5-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methyl]propanamide
CID 53126080
N-[[5-[5-(5-bromo-3-pyridinyl)-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methyl]propanamide
CID 53126075
N-[[5-[5-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methyl]propanamide
CID 53126101
methyl 4-[5-[(2R)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]benzoate
CID 129370564
2-methyl-N-[[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]-1-benzothiophene-3-carboxamide
CID 155502417
N-[[5-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methyl]cyclopropanecarboxamide
CID 53126134
1-butyl-1-[(5-methylthiophen-2-yl)methyl]-3-[[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]urea
CID 122556631
2-(5-acetylthiophen-3-yl)-N-[[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]acetamide
CID 118769200
N-[[5-[5-[1-(4-methoxyphenyl)cyclopropyl]-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methyl]cyclopropanecarboxamide
CID 53126180
N-[2-[5-[(2R)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]ethyl]-2-thiophen-2-ylacetamide
CID 99935158

Frequently Asked Questions

What is the IUPAC name of N-[[5-[5-[(2S)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methyl]propanamide?
The IUPAC name of N-[[5-[5-[(2S)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methyl]propanamide (CID 95092058) is N-[[5-[5-[(2S)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methyl]propanamide.
What is the SMILES notation for N-[[5-[5-[(2S)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methyl]propanamide?
The canonical SMILES for N-[[5-[5-[(2S)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methyl]propanamide is CCC(=O)NCc1ccc(-c2noc([C@@H]3CCCO3)n2)s1.
What is the InChIKey of N-[[5-[5-[(2S)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methyl]propanamide?
The InChIKey is IXPWUOAXKOJAIB-JTQLQIEISA-N. The full InChI is InChI=1S/C14H17N3O3S/c1-2-12(18)15-8-9-5-6-11(21-9)13-16-14(20-17-13)10-4-3-7-19-10/h5-6,10H,2-4,7-8H2,1H3,(H,15,18)/t10-/m0/s1.
What are the key properties of N-[[5-[5-[(2S)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methyl]propanamide?
N-[[5-[5-[(2S)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methyl]propanamide has a molecular weight of 307.38 g/mol, XLogP of 2.68, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[5-[(2S)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methyl]propanamide is sourced from PubChem (CID 95092058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).