N-[1-(aminomethyl)cyclopentyl]-4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)butanamide;hydrochloride

C16H29ClN4O2 — CID 119567894

IUPACN-[1-(aminomethyl)cyclopentyl]-4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)butanamide;hydrochloride
SMILESCC(C)(C)c1noc(CCCC(=O)NC2(CN)CCCC2)n1.Cl
InChIInChI=1S/C16H28N4O2.ClH/c1-15(2,3)14-18-13(22-20-14)8-6-7-12(21)19-16(11-17)9-4-5-10-16;/h4-11,17H2,1-3H3,(H,19,21);1H
InChIKeyHCPLKQKOWOPPBU-UHFFFAOYSA-N
MW344.89 g/mol
LogP2.50
Rot. Bonds6

About N-[1-(aminomethyl)cyclopentyl]-4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)butanamide;hydrochloride

N-[1-(aminomethyl)cyclopentyl]-4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)butanamide;hydrochloride (PubChem CID 119567894) has the molecular formula C16H29ClN4O2 and a molecular weight of 344.89 g/mol. Its IUPAC name is N-[1-(aminomethyl)cyclopentyl]-4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)butanamide;hydrochloride.

Molecular Properties

Compound NameN-[1-(aminomethyl)cyclopentyl]-4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)butanamide;hydrochloride
PubChem CID119567894
Molecular FormulaC16H29ClN4O2
Molecular Weight344.89 g/mol
Exact Mass344.20
IUPAC NameN-[1-(aminomethyl)cyclopentyl]-4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)butanamide;hydrochloride
SMILESCC(C)(C)c1noc(CCCC(=O)NC2(CN)CCCC2)n1.Cl
InChIInChI=1S/C16H28N4O2.ClH/c1-15(2,3)14-18-13(22-20-14)8-6-7-12(21)19-16(11-17)9-4-5-10-16;/h4-11,17H2,1-3H3,(H,19,21);1H
InChIKeyHCPLKQKOWOPPBU-UHFFFAOYSA-N
XLogP2.50
TPSA94.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.89
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2S)-1-aminopropan-2-yl]-4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)butanamide;hydrochloride
CID 120507692
N-(4-aminocyclohexyl)-4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)butanamide;hydrochloride
CID 119478368
4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)butanamide
CID 38416580
4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-[(1-thiomorpholin-4-ylcyclopentyl)methyl]butanamide
CID 36559759
4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-(2-hydroxy-2,3-dimethylbutyl)butanamide
CID 111484432
N-[1-(aminomethyl)cyclopentyl]-3,3-dimethylbutanamide;hydrochloride
CID 119565263
1-[2-(aminomethyl)pyrrolidin-1-yl]-4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)butan-1-one;hydrochloride
CID 119634070
5-(3-tert-butyl-1,2,4-oxadiazol-5-yl)pentanoic acid
CID 43446819
N-[1-(aminomethyl)cyclopentyl]-4-(5-methylthiophen-2-yl)butanamide
CID 119568060
4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-(piperidin-3-ylmethyl)butanamide
CID 119463876
4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)butanamide
CID 38486973
N-[1-(aminomethyl)cyclopentyl]-4-phenylbutanamide
CID 63754522

Frequently Asked Questions

What is the IUPAC name of N-[1-(aminomethyl)cyclopentyl]-4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)butanamide;hydrochloride?
The IUPAC name of N-[1-(aminomethyl)cyclopentyl]-4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)butanamide;hydrochloride (CID 119567894) is N-[1-(aminomethyl)cyclopentyl]-4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)butanamide;hydrochloride.
What is the SMILES notation for N-[1-(aminomethyl)cyclopentyl]-4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)butanamide;hydrochloride?
The canonical SMILES for N-[1-(aminomethyl)cyclopentyl]-4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)butanamide;hydrochloride is CC(C)(C)c1noc(CCCC(=O)NC2(CN)CCCC2)n1.Cl.
What is the InChIKey of N-[1-(aminomethyl)cyclopentyl]-4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)butanamide;hydrochloride?
The InChIKey is HCPLKQKOWOPPBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4O2.ClH/c1-15(2,3)14-18-13(22-20-14)8-6-7-12(21)19-16(11-17)9-4-5-10-16;/h4-11,17H2,1-3H3,(H,19,21);1H.
What are the key properties of N-[1-(aminomethyl)cyclopentyl]-4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)butanamide;hydrochloride?
N-[1-(aminomethyl)cyclopentyl]-4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)butanamide;hydrochloride has a molecular weight of 344.89 g/mol, XLogP of 2.50, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(aminomethyl)cyclopentyl]-4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)butanamide;hydrochloride is sourced from PubChem (CID 119567894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).