N-(1-amino-4-methylpentan-2-yl)-4-(3-propyl-1,2,4-oxadiazol-5-yl)butanamide;hydrochloride

C15H29ClN4O2 — CID 119588243

IUPACN-(1-amino-4-methylpentan-2-yl)-4-(3-propyl-1,2,4-oxadiazol-5-yl)butanamide;hydrochloride
SMILESCCCc1noc(CCCC(=O)NC(CN)CC(C)C)n1.Cl
InChIInChI=1S/C15H28N4O2.ClH/c1-4-6-13-18-15(21-19-13)8-5-7-14(20)17-12(10-16)9-11(2)3;/h11-12H,4-10,16H2,1-3H3,(H,17,20);1H
InChIKeyCSQGWHYSPPZEHR-UHFFFAOYSA-N
MW332.88 g/mol
LogP2.26
Rot. Bonds10

About N-(1-amino-4-methylpentan-2-yl)-4-(3-propyl-1,2,4-oxadiazol-5-yl)butanamide;hydrochloride

N-(1-amino-4-methylpentan-2-yl)-4-(3-propyl-1,2,4-oxadiazol-5-yl)butanamide;hydrochloride (PubChem CID 119588243) has the molecular formula C15H29ClN4O2 and a molecular weight of 332.88 g/mol. Its IUPAC name is N-(1-amino-4-methylpentan-2-yl)-4-(3-propyl-1,2,4-oxadiazol-5-yl)butanamide;hydrochloride.

Molecular Properties

Compound NameN-(1-amino-4-methylpentan-2-yl)-4-(3-propyl-1,2,4-oxadiazol-5-yl)butanamide;hydrochloride
PubChem CID119588243
Molecular FormulaC15H29ClN4O2
Molecular Weight332.88 g/mol
Exact Mass332.20
IUPAC NameN-(1-amino-4-methylpentan-2-yl)-4-(3-propyl-1,2,4-oxadiazol-5-yl)butanamide;hydrochloride
SMILESCCCc1noc(CCCC(=O)NC(CN)CC(C)C)n1.Cl
InChIInChI=1S/C15H28N4O2.ClH/c1-4-6-13-18-15(21-19-13)8-5-7-14(20)17-12(10-16)9-11(2)3;/h11-12H,4-10,16H2,1-3H3,(H,17,20);1H
InChIKeyCSQGWHYSPPZEHR-UHFFFAOYSA-N
XLogP2.26
TPSA94.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.88
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-4-methyl-2-[4-(3-propyl-1,2,4-oxadiazol-5-yl)butanoylamino]pentanoic acid
CID 119364174
(2S)-2-[4-(3-propyl-1,2,4-oxadiazol-5-yl)butanoylamino]propanoic acid
CID 119238057
N-(3-amino-2-methylpropyl)-4-(3-propyl-1,2,4-oxadiazol-5-yl)butanamide
CID 119995818
2-[4-(3-propyl-1,2,4-oxadiazol-5-yl)butanoylamino]butanoic acid
CID 119223527
N-[2-(ethylamino)ethyl]-4-(3-propyl-1,2,4-oxadiazol-5-yl)butanamide;hydrochloride
CID 119508746
N-(2-amino-1-naphthalen-2-ylethyl)-4-(3-propyl-1,2,4-oxadiazol-5-yl)butanamide;hydrochloride
CID 120567918
N-(1-aminopropan-2-yl)-N-methyl-4-(3-propyl-1,2,4-oxadiazol-5-yl)butanamide
CID 119584608
N-(1-hydroxybutan-2-yl)-3-(3-propyl-1,2,4-oxadiazol-5-yl)propanamide
CID 43417872
methyl (2R)-2-phenyl-2-[4-(3-propyl-1,2,4-oxadiazol-5-yl)butanoylamino]acetate
CID 95275306
N-(1-amino-4-methylpentan-2-yl)-3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]propanamide;hydrochloride
CID 119586530
N-[(4-chlorophenyl)-phenylmethyl]-4-(3-propyl-1,2,4-oxadiazol-5-yl)butanamide
CID 55824272
N-[(2S)-1-aminopropan-2-yl]-4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)butanamide;hydrochloride
CID 120507692

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-4-methylpentan-2-yl)-4-(3-propyl-1,2,4-oxadiazol-5-yl)butanamide;hydrochloride?
The IUPAC name of N-(1-amino-4-methylpentan-2-yl)-4-(3-propyl-1,2,4-oxadiazol-5-yl)butanamide;hydrochloride (CID 119588243) is N-(1-amino-4-methylpentan-2-yl)-4-(3-propyl-1,2,4-oxadiazol-5-yl)butanamide;hydrochloride.
What is the SMILES notation for N-(1-amino-4-methylpentan-2-yl)-4-(3-propyl-1,2,4-oxadiazol-5-yl)butanamide;hydrochloride?
The canonical SMILES for N-(1-amino-4-methylpentan-2-yl)-4-(3-propyl-1,2,4-oxadiazol-5-yl)butanamide;hydrochloride is CCCc1noc(CCCC(=O)NC(CN)CC(C)C)n1.Cl.
What is the InChIKey of N-(1-amino-4-methylpentan-2-yl)-4-(3-propyl-1,2,4-oxadiazol-5-yl)butanamide;hydrochloride?
The InChIKey is CSQGWHYSPPZEHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N4O2.ClH/c1-4-6-13-18-15(21-19-13)8-5-7-14(20)17-12(10-16)9-11(2)3;/h11-12H,4-10,16H2,1-3H3,(H,17,20);1H.
What are the key properties of N-(1-amino-4-methylpentan-2-yl)-4-(3-propyl-1,2,4-oxadiazol-5-yl)butanamide;hydrochloride?
N-(1-amino-4-methylpentan-2-yl)-4-(3-propyl-1,2,4-oxadiazol-5-yl)butanamide;hydrochloride has a molecular weight of 332.88 g/mol, XLogP of 2.26, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-4-methylpentan-2-yl)-4-(3-propyl-1,2,4-oxadiazol-5-yl)butanamide;hydrochloride is sourced from PubChem (CID 119588243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).