N-[3-(aminomethyl)pentan-3-yl]-4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)butanamide

C16H24N4O2S — CID 119571905

IUPACN-[3-(aminomethyl)pentan-3-yl]-4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)butanamide
SMILESCCC(CC)(CN)NC(=O)CCCc1nc(-c2cccs2)no1
InChIInChI=1S/C16H24N4O2S/c1-3-16(4-2,11-17)19-13(21)8-5-9-14-18-15(20-22-14)12-7-6-10-23-12/h6-7,10H,3-5,8-9,11,17H2,1-2H3,(H,19,21)
InChIKeyWLEOUCAQLZKNFX-UHFFFAOYSA-N
MW336.46 g/mol
LogP2.75
Rot. Bonds9

About N-[3-(aminomethyl)pentan-3-yl]-4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)butanamide

N-[3-(aminomethyl)pentan-3-yl]-4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)butanamide (PubChem CID 119571905) has the molecular formula C16H24N4O2S and a molecular weight of 336.46 g/mol. Its IUPAC name is N-[3-(aminomethyl)pentan-3-yl]-4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)butanamide.

Molecular Properties

Compound NameN-[3-(aminomethyl)pentan-3-yl]-4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)butanamide
PubChem CID119571905
Molecular FormulaC16H24N4O2S
Molecular Weight336.46 g/mol
Exact Mass336.16
IUPAC NameN-[3-(aminomethyl)pentan-3-yl]-4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)butanamide
SMILESCCC(CC)(CN)NC(=O)CCCc1nc(-c2cccs2)no1
InChIInChI=1S/C16H24N4O2S/c1-3-16(4-2,11-17)19-13(21)8-5-9-14-18-15(20-22-14)12-7-6-10-23-12/h6-7,10H,3-5,8-9,11,17H2,1-2H3,(H,19,21)
InChIKeyWLEOUCAQLZKNFX-UHFFFAOYSA-N
XLogP2.75
TPSA94.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.46
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[3-(aminomethyl)pentan-3-yl]-3-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 119570648
3-methyl-2-[4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)butanoylamino]butanoic acid
CID 119169883
N-(2-amino-2-methylpropyl)-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 119625948
N-[2-(ethylaminomethyl)phenyl]-4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)butanamide
CID 119440771
N-(3-amino-2,2-dimethylpropyl)-N-methyl-4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)butanamide;hydrochloride
CID 119656857
(2S,3S)-3-methyl-2-[4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)butanoylamino]pentanoic acid
CID 119193820
propyl 4-[4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)butanoylamino]benzoate
CID 38908772
N-(4-iodophenyl)-4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)butanamide
CID 38888106
N-(2,3-dimethylphenyl)-4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)butanamide
CID 23612290
N-(3-cyclohexylpropyl)-4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)butanamide
CID 46461523
N-[2-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)ethyl]butanamide
CID 110323159
2-[2-[4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)butanoylamino]ethylsulfanyl]acetic acid
CID 119241569

Frequently Asked Questions

What is the IUPAC name of N-[3-(aminomethyl)pentan-3-yl]-4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)butanamide?
The IUPAC name of N-[3-(aminomethyl)pentan-3-yl]-4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)butanamide (CID 119571905) is N-[3-(aminomethyl)pentan-3-yl]-4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)butanamide.
What is the SMILES notation for N-[3-(aminomethyl)pentan-3-yl]-4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)butanamide?
The canonical SMILES for N-[3-(aminomethyl)pentan-3-yl]-4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)butanamide is CCC(CC)(CN)NC(=O)CCCc1nc(-c2cccs2)no1.
What is the InChIKey of N-[3-(aminomethyl)pentan-3-yl]-4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)butanamide?
The InChIKey is WLEOUCAQLZKNFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O2S/c1-3-16(4-2,11-17)19-13(21)8-5-9-14-18-15(20-22-14)12-7-6-10-23-12/h6-7,10H,3-5,8-9,11,17H2,1-2H3,(H,19,21).
What are the key properties of N-[3-(aminomethyl)pentan-3-yl]-4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)butanamide?
N-[3-(aminomethyl)pentan-3-yl]-4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)butanamide has a molecular weight of 336.46 g/mol, XLogP of 2.75, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(aminomethyl)pentan-3-yl]-4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)butanamide is sourced from PubChem (CID 119571905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).