N-[1-(aminomethyl)cyclopentyl]-3-pentan-3-yl-1,2-oxazole-5-carboxamide;hydrochloride

C15H26ClN3O2 — CID 119565191

IUPACN-[1-(aminomethyl)cyclopentyl]-3-pentan-3-yl-1,2-oxazole-5-carboxamide;hydrochloride
SMILESCCC(CC)c1cc(C(=O)NC2(CN)CCCC2)on1.Cl
InChIInChI=1S/C15H25N3O2.ClH/c1-3-11(4-2)12-9-13(20-18-12)14(19)17-15(10-16)7-5-6-8-15;/h9,11H,3-8,10,16H2,1-2H3,(H,17,19);1H
InChIKeySBVGEZJSJVPJPE-UHFFFAOYSA-N
MW315.85 g/mol
LogP3.00
Rot. Bonds6

About N-[1-(aminomethyl)cyclopentyl]-3-pentan-3-yl-1,2-oxazole-5-carboxamide;hydrochloride

N-[1-(aminomethyl)cyclopentyl]-3-pentan-3-yl-1,2-oxazole-5-carboxamide;hydrochloride (PubChem CID 119565191) has the molecular formula C15H26ClN3O2 and a molecular weight of 315.85 g/mol. Its IUPAC name is N-[1-(aminomethyl)cyclopentyl]-3-pentan-3-yl-1,2-oxazole-5-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[1-(aminomethyl)cyclopentyl]-3-pentan-3-yl-1,2-oxazole-5-carboxamide;hydrochloride
PubChem CID119565191
Molecular FormulaC15H26ClN3O2
Molecular Weight315.85 g/mol
Exact Mass315.17
IUPAC NameN-[1-(aminomethyl)cyclopentyl]-3-pentan-3-yl-1,2-oxazole-5-carboxamide;hydrochloride
SMILESCCC(CC)c1cc(C(=O)NC2(CN)CCCC2)on1.Cl
InChIInChI=1S/C15H25N3O2.ClH/c1-3-11(4-2)12-9-13(20-18-12)14(19)17-15(10-16)7-5-6-8-15;/h9,11H,3-8,10,16H2,1-2H3,(H,17,19);1H
InChIKeySBVGEZJSJVPJPE-UHFFFAOYSA-N
XLogP3.00
TPSA81.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.85
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(aminomethyl)cyclopentyl]-3-methyl-1,2-oxazole-5-carboxamide;hydrochloride
CID 119568167
2-[4-[(3-pentan-3-yl-1,2-oxazole-5-carbonyl)amino]oxan-4-yl]acetic acid
CID 119215799
N-[(1-hydroxycyclobutyl)methyl]-3-pentan-3-yl-1,2-oxazole-5-carboxamide
CID 111539650
N-[(4-hydroxythian-4-yl)methyl]-3-pentan-3-yl-1,2-oxazole-5-carboxamide
CID 111484714
N-(2-amino-1-cyclohexylethyl)-3-pentan-3-yl-1,2-oxazole-5-carboxamide
CID 119589284
N-[1-(hydroxymethyl)cyclohexyl]-3-methyl-1,2-oxazole-5-carboxamide
CID 55082649
N-[3-(methylamino)propyl]-3-pentan-3-yl-1,2-oxazole-5-carboxamide
CID 119429935
N-(1-amino-2,3-dimethylbutan-2-yl)-3-pentan-3-yl-1,2-oxazole-5-carboxamide
CID 119605837
N-[1-(aminomethyl)cyclopentyl]-5-(methoxymethyl)-1,2-oxazole-3-carboxamide;hydrochloride
CID 119566646
[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-(3-pentan-3-yl-1,2-oxazol-5-yl)methanone
CID 120803741
2-[(3-pentan-3-yl-1,2-oxazole-5-carbonyl)amino]propanoic acid
CID 119225874
N-[1-(hydroxymethyl)cyclobutyl]-3-methyl-1,2-oxazole-5-carboxamide
CID 115877949

Frequently Asked Questions

What is the IUPAC name of N-[1-(aminomethyl)cyclopentyl]-3-pentan-3-yl-1,2-oxazole-5-carboxamide;hydrochloride?
The IUPAC name of N-[1-(aminomethyl)cyclopentyl]-3-pentan-3-yl-1,2-oxazole-5-carboxamide;hydrochloride (CID 119565191) is N-[1-(aminomethyl)cyclopentyl]-3-pentan-3-yl-1,2-oxazole-5-carboxamide;hydrochloride.
What is the SMILES notation for N-[1-(aminomethyl)cyclopentyl]-3-pentan-3-yl-1,2-oxazole-5-carboxamide;hydrochloride?
The canonical SMILES for N-[1-(aminomethyl)cyclopentyl]-3-pentan-3-yl-1,2-oxazole-5-carboxamide;hydrochloride is CCC(CC)c1cc(C(=O)NC2(CN)CCCC2)on1.Cl.
What is the InChIKey of N-[1-(aminomethyl)cyclopentyl]-3-pentan-3-yl-1,2-oxazole-5-carboxamide;hydrochloride?
The InChIKey is SBVGEZJSJVPJPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O2.ClH/c1-3-11(4-2)12-9-13(20-18-12)14(19)17-15(10-16)7-5-6-8-15;/h9,11H,3-8,10,16H2,1-2H3,(H,17,19);1H.
What are the key properties of N-[1-(aminomethyl)cyclopentyl]-3-pentan-3-yl-1,2-oxazole-5-carboxamide;hydrochloride?
N-[1-(aminomethyl)cyclopentyl]-3-pentan-3-yl-1,2-oxazole-5-carboxamide;hydrochloride has a molecular weight of 315.85 g/mol, XLogP of 3.00, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(aminomethyl)cyclopentyl]-3-pentan-3-yl-1,2-oxazole-5-carboxamide;hydrochloride is sourced from PubChem (CID 119565191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).