N-[[(2S)-2,3-dihydro-1-benzofuran-2-yl]methyl]-3-(3-propyl-1,2,4-oxadiazol-5-yl)propanamide

C17H21N3O3 — CID 95126904

IUPACN-[[(2S)-2,3-dihydro-1-benzofuran-2-yl]methyl]-3-(3-propyl-1,2,4-oxadiazol-5-yl)propanamide
SMILESCCCc1noc(CCC(=O)NC[C@@H]2Cc3ccccc3O2)n1
InChIInChI=1S/C17H21N3O3/c1-2-5-15-19-17(23-20-15)9-8-16(21)18-11-13-10-12-6-3-4-7-14(12)22-13/h3-4,6-7,13H,2,5,8-11H2,1H3,(H,18,21)/t13-/m0/s1
InChIKeyHWXHFSAWSGBQFM-ZDUSSCGKSA-N
MW315.37 g/mol
LogP2.07
Rot. Bonds7

About N-[[(2S)-2,3-dihydro-1-benzofuran-2-yl]methyl]-3-(3-propyl-1,2,4-oxadiazol-5-yl)propanamide

N-[[(2S)-2,3-dihydro-1-benzofuran-2-yl]methyl]-3-(3-propyl-1,2,4-oxadiazol-5-yl)propanamide (PubChem CID 95126904) has the molecular formula C17H21N3O3 and a molecular weight of 315.37 g/mol. Its IUPAC name is N-[[(2S)-2,3-dihydro-1-benzofuran-2-yl]methyl]-3-(3-propyl-1,2,4-oxadiazol-5-yl)propanamide.

Molecular Properties

Compound NameN-[[(2S)-2,3-dihydro-1-benzofuran-2-yl]methyl]-3-(3-propyl-1,2,4-oxadiazol-5-yl)propanamide
PubChem CID95126904
Molecular FormulaC17H21N3O3
Molecular Weight315.37 g/mol
Exact Mass315.16
IUPAC NameN-[[(2S)-2,3-dihydro-1-benzofuran-2-yl]methyl]-3-(3-propyl-1,2,4-oxadiazol-5-yl)propanamide
SMILESCCCc1noc(CCC(=O)NC[C@@H]2Cc3ccccc3O2)n1
InChIInChI=1S/C17H21N3O3/c1-2-5-15-19-17(23-20-15)9-8-16(21)18-11-13-10-12-6-3-4-7-14(12)22-13/h3-4,6-7,13H,2,5,8-11H2,1H3,(H,18,21)/t13-/m0/s1
InChIKeyHWXHFSAWSGBQFM-ZDUSSCGKSA-N
XLogP2.07
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.37
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[[(2S)-2,3-dihydro-1-benzofuran-2-yl]methyl]-3-(3-propyl-1,2,4-oxadiazol-5-yl)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

3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-[[(2R)-2,3-dihydro-1-benzofuran-2-yl]methyl]propanamide
CID 38585723
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)butanamide
CID 51080867
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-4-hydroxypentanamide
CID 79192348
3-(2,3-dihydro-1-benzofuran-2-ylmethylamino)-3-oxopropanoic acid
CID 62229922
1-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]urea
CID 56785681
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-5-hydroxypentanamide
CID 79210222
5-amino-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-4-methylpentanamide
CID 82012136
N-[[(2R)-2,3-dihydro-1-benzofuran-2-yl]methyl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide
CID 39236485
N-[[(2R)-2,3-dihydro-1-benzofuran-2-yl]methyl]-2-(3,5-dimethylpyrazol-1-yl)acetamide
CID 92603164
3-[[N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-N'-methylcarbamimidoyl]amino]-N-propylpropanamide
CID 111950369
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3,3-diphenylpropanamide
CID 55613114
2-amino-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)pentanamide
CID 54896354

Frequently Asked Questions

What is the IUPAC name of N-[[(2S)-2,3-dihydro-1-benzofuran-2-yl]methyl]-3-(3-propyl-1,2,4-oxadiazol-5-yl)propanamide?
The IUPAC name of N-[[(2S)-2,3-dihydro-1-benzofuran-2-yl]methyl]-3-(3-propyl-1,2,4-oxadiazol-5-yl)propanamide (CID 95126904) is N-[[(2S)-2,3-dihydro-1-benzofuran-2-yl]methyl]-3-(3-propyl-1,2,4-oxadiazol-5-yl)propanamide.
What is the SMILES notation for N-[[(2S)-2,3-dihydro-1-benzofuran-2-yl]methyl]-3-(3-propyl-1,2,4-oxadiazol-5-yl)propanamide?
The canonical SMILES for N-[[(2S)-2,3-dihydro-1-benzofuran-2-yl]methyl]-3-(3-propyl-1,2,4-oxadiazol-5-yl)propanamide is CCCc1noc(CCC(=O)NC[C@@H]2Cc3ccccc3O2)n1.
What is the InChIKey of N-[[(2S)-2,3-dihydro-1-benzofuran-2-yl]methyl]-3-(3-propyl-1,2,4-oxadiazol-5-yl)propanamide?
The InChIKey is HWXHFSAWSGBQFM-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H21N3O3/c1-2-5-15-19-17(23-20-15)9-8-16(21)18-11-13-10-12-6-3-4-7-14(12)22-13/h3-4,6-7,13H,2,5,8-11H2,1H3,(H,18,21)/t13-/m0/s1.
What are the key properties of N-[[(2S)-2,3-dihydro-1-benzofuran-2-yl]methyl]-3-(3-propyl-1,2,4-oxadiazol-5-yl)propanamide?
N-[[(2S)-2,3-dihydro-1-benzofuran-2-yl]methyl]-3-(3-propyl-1,2,4-oxadiazol-5-yl)propanamide has a molecular weight of 315.37 g/mol, XLogP of 2.07, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2S)-2,3-dihydro-1-benzofuran-2-yl]methyl]-3-(3-propyl-1,2,4-oxadiazol-5-yl)propanamide is sourced from PubChem (CID 95126904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).