N-(3-methyl-1,2-oxazol-5-yl)-2-[propyl(pyrrolidin-3-yl)amino]acetamide;hydrochloride

C13H23ClN4O2 — CID 119921752

IUPACN-(3-methyl-1,2-oxazol-5-yl)-2-[propyl(pyrrolidin-3-yl)amino]acetamide;hydrochloride
SMILESCCCN(CC(=O)Nc1cc(C)no1)C1CCNC1.Cl
InChIInChI=1S/C13H22N4O2.ClH/c1-3-6-17(11-4-5-14-8-11)9-12(18)15-13-7-10(2)16-19-13;/h7,11,14H,3-6,8-9H2,1-2H3,(H,15,18);1H
InChIKeyPCIKETSXPYVYAU-UHFFFAOYSA-N
MW302.81 g/mol
LogP1.42
Rot. Bonds6

About N-(3-methyl-1,2-oxazol-5-yl)-2-[propyl(pyrrolidin-3-yl)amino]acetamide;hydrochloride

N-(3-methyl-1,2-oxazol-5-yl)-2-[propyl(pyrrolidin-3-yl)amino]acetamide;hydrochloride (PubChem CID 119921752) has the molecular formula C13H23ClN4O2 and a molecular weight of 302.81 g/mol. Its IUPAC name is N-(3-methyl-1,2-oxazol-5-yl)-2-[propyl(pyrrolidin-3-yl)amino]acetamide;hydrochloride.

Molecular Properties

Compound NameN-(3-methyl-1,2-oxazol-5-yl)-2-[propyl(pyrrolidin-3-yl)amino]acetamide;hydrochloride
PubChem CID119921752
Molecular FormulaC13H23ClN4O2
Molecular Weight302.81 g/mol
Exact Mass302.15
IUPAC NameN-(3-methyl-1,2-oxazol-5-yl)-2-[propyl(pyrrolidin-3-yl)amino]acetamide;hydrochloride
SMILESCCCN(CC(=O)Nc1cc(C)no1)C1CCNC1.Cl
InChIInChI=1S/C13H22N4O2.ClH/c1-3-6-17(11-4-5-14-8-11)9-12(18)15-13-7-10(2)16-19-13;/h7,11,14H,3-6,8-9H2,1-2H3,(H,15,18);1H
InChIKeyPCIKETSXPYVYAU-UHFFFAOYSA-N
XLogP1.42
TPSA70.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.81
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-propan-2-yl-1,2-oxazol-5-yl)-2-[propyl(pyrrolidin-3-yl)amino]acetamide
CID 63304334
N-(5-methyl-1,2-oxazol-3-yl)-2-[propyl(pyrrolidin-3-yl)amino]acetamide
CID 63304380
N-propan-2-yl-2-[propyl(pyrrolidin-3-yl)amino]acetamide;hydrochloride
CID 119921653
N-(3-chloro-4-methylphenyl)-2-[propyl(pyrrolidin-3-yl)amino]acetamide;hydrochloride
CID 119921601
N-(4-fluorophenyl)-2-[propyl(pyrrolidin-3-yl)amino]acetamide;hydrochloride
CID 119921606
N-(1,3-benzodioxol-5-yl)-2-[propyl(pyrrolidin-3-yl)amino]acetamide;hydrochloride
CID 119921602
N-(4-bromo-3-methylphenyl)-2-[propyl(pyrrolidin-3-yl)amino]acetamide;hydrochloride
CID 119921556
2-[propyl(pyrrolidin-3-yl)amino]-N-(1-thiophen-2-ylethyl)acetamide
CID 63304562
N-(1,3-benzodioxol-5-yl)-2-[propyl(pyrrolidin-3-yl)amino]acetamide
CID 119921603
2-[propyl(pyrrolidin-3-yl)amino]-N-(thiophen-2-ylmethyl)acetamide;hydrochloride
CID 119921790
N-(4-methoxyphenyl)-2-[propyl(pyrrolidin-3-yl)amino]acetamide;hydrochloride
CID 119921557
N-(2-methylpropyl)-2-[propyl(pyrrolidin-3-yl)amino]acetamide;hydrochloride
CID 119921772

Frequently Asked Questions

What is the IUPAC name of N-(3-methyl-1,2-oxazol-5-yl)-2-[propyl(pyrrolidin-3-yl)amino]acetamide;hydrochloride?
The IUPAC name of N-(3-methyl-1,2-oxazol-5-yl)-2-[propyl(pyrrolidin-3-yl)amino]acetamide;hydrochloride (CID 119921752) is N-(3-methyl-1,2-oxazol-5-yl)-2-[propyl(pyrrolidin-3-yl)amino]acetamide;hydrochloride.
What is the SMILES notation for N-(3-methyl-1,2-oxazol-5-yl)-2-[propyl(pyrrolidin-3-yl)amino]acetamide;hydrochloride?
The canonical SMILES for N-(3-methyl-1,2-oxazol-5-yl)-2-[propyl(pyrrolidin-3-yl)amino]acetamide;hydrochloride is CCCN(CC(=O)Nc1cc(C)no1)C1CCNC1.Cl.
What is the InChIKey of N-(3-methyl-1,2-oxazol-5-yl)-2-[propyl(pyrrolidin-3-yl)amino]acetamide;hydrochloride?
The InChIKey is PCIKETSXPYVYAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O2.ClH/c1-3-6-17(11-4-5-14-8-11)9-12(18)15-13-7-10(2)16-19-13;/h7,11,14H,3-6,8-9H2,1-2H3,(H,15,18);1H.
What are the key properties of N-(3-methyl-1,2-oxazol-5-yl)-2-[propyl(pyrrolidin-3-yl)amino]acetamide;hydrochloride?
N-(3-methyl-1,2-oxazol-5-yl)-2-[propyl(pyrrolidin-3-yl)amino]acetamide;hydrochloride has a molecular weight of 302.81 g/mol, XLogP of 1.42, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methyl-1,2-oxazol-5-yl)-2-[propyl(pyrrolidin-3-yl)amino]acetamide;hydrochloride is sourced from PubChem (CID 119921752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).