N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-N-[1-(3-methylsulfanylpropyl)pyrrolidin-3-yl]acetamide

C14H24N4O2S — CID 71872481

IUPACN-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-N-[1-(3-methylsulfanylpropyl)pyrrolidin-3-yl]acetamide
SMILESCSCCCN1CCC(N(Cc2noc(C)n2)C(C)=O)C1
InChIInChI=1S/C14H24N4O2S/c1-11-15-14(16-20-11)10-18(12(2)19)13-5-7-17(9-13)6-4-8-21-3/h13H,4-10H2,1-3H3
InChIKeyKCPDNNXMGAYZRY-UHFFFAOYSA-N
MW312.44 g/mol
LogP1.55
Rot. Bonds7

About N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-N-[1-(3-methylsulfanylpropyl)pyrrolidin-3-yl]acetamide

N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-N-[1-(3-methylsulfanylpropyl)pyrrolidin-3-yl]acetamide (PubChem CID 71872481) has the molecular formula C14H24N4O2S and a molecular weight of 312.44 g/mol. Its IUPAC name is N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-N-[1-(3-methylsulfanylpropyl)pyrrolidin-3-yl]acetamide.

Molecular Properties

Compound NameN-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-N-[1-(3-methylsulfanylpropyl)pyrrolidin-3-yl]acetamide
PubChem CID71872481
Molecular FormulaC14H24N4O2S
Molecular Weight312.44 g/mol
Exact Mass312.16
IUPAC NameN-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-N-[1-(3-methylsulfanylpropyl)pyrrolidin-3-yl]acetamide
SMILESCSCCCN1CCC(N(Cc2noc(C)n2)C(C)=O)C1
InChIInChI=1S/C14H24N4O2S/c1-11-15-14(16-20-11)10-18(12(2)19)13-5-7-17(9-13)6-4-8-21-3/h13H,4-10H2,1-3H3
InChIKeyKCPDNNXMGAYZRY-UHFFFAOYSA-N
XLogP1.55
TPSA62.47 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.44
LogP ≤ 51.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-N-[1-(3-methylsulfanylpropyl)pyrrolidin-3-yl]acetamide 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-methyl-1,2,4-oxadiazol-3-yl)methyl]-N-[(3S)-1-(2-morpholin-4-ylethyl)pyrrolidin-3-yl]acetamide
CID 97008816
N-[1-(2-ethylsulfonylethyl)pyrrolidin-3-yl]-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]acetamide
CID 71872498
N-[1-(2-cyclopentylethyl)pyrrolidin-3-yl]-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]acetamide
CID 154749222
3-[(3R)-3-[acetyl-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]amino]pyrrolidin-1-yl]-N-ethylpropanamide
CID 97217488
2-[3-[acetyl-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]amino]pyrrolidin-1-yl]-N-cyclopropyl-N-methylacetamide
CID 71872472
N-[(3S)-1-(cyclopentylmethyl)pyrrolidin-3-yl]-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]acetamide
CID 97074201
N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-N-[(3S)-1-(2-thiophen-2-ylethyl)pyrrolidin-3-yl]acetamide
CID 97008824
N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-N-[1-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-3-yl]acetamide
CID 71928330
N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-N-[1-[(1-propyltetrazol-5-yl)methyl]pyrrolidin-3-yl]acetamide
CID 71928326
N-[1-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]pyrrolidin-3-yl]-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]acetamide
CID 71872485
N-[(3R)-1-[(4-cyanophenyl)methyl]pyrrolidin-3-yl]-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]acetamide
CID 97074208
1-[4-[methyl-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]amino]azepan-1-yl]-4-methylsulfanylbutan-1-one
CID 128998626

Frequently Asked Questions

What is the IUPAC name of N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-N-[1-(3-methylsulfanylpropyl)pyrrolidin-3-yl]acetamide?
The IUPAC name of N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-N-[1-(3-methylsulfanylpropyl)pyrrolidin-3-yl]acetamide (CID 71872481) is N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-N-[1-(3-methylsulfanylpropyl)pyrrolidin-3-yl]acetamide.
What is the SMILES notation for N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-N-[1-(3-methylsulfanylpropyl)pyrrolidin-3-yl]acetamide?
The canonical SMILES for N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-N-[1-(3-methylsulfanylpropyl)pyrrolidin-3-yl]acetamide is CSCCCN1CCC(N(Cc2noc(C)n2)C(C)=O)C1.
What is the InChIKey of N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-N-[1-(3-methylsulfanylpropyl)pyrrolidin-3-yl]acetamide?
The InChIKey is KCPDNNXMGAYZRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O2S/c1-11-15-14(16-20-11)10-18(12(2)19)13-5-7-17(9-13)6-4-8-21-3/h13H,4-10H2,1-3H3.
What are the key properties of N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-N-[1-(3-methylsulfanylpropyl)pyrrolidin-3-yl]acetamide?
N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-N-[1-(3-methylsulfanylpropyl)pyrrolidin-3-yl]acetamide has a molecular weight of 312.44 g/mol, XLogP of 1.55, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-N-[1-(3-methylsulfanylpropyl)pyrrolidin-3-yl]acetamide is sourced from PubChem (CID 71872481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).