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

C12H20ClN3O3 — CID 119566646

IUPACN-[1-(aminomethyl)cyclopentyl]-5-(methoxymethyl)-1,2-oxazole-3-carboxamide;hydrochloride
SMILESCOCc1cc(C(=O)NC2(CN)CCCC2)no1.Cl
InChIInChI=1S/C12H19N3O3.ClH/c1-17-7-9-6-10(15-18-9)11(16)14-12(8-13)4-2-3-5-12;/h6H,2-5,7-8,13H2,1H3,(H,14,16);1H
InChIKeyNFVYOCKOMHKRIY-UHFFFAOYSA-N
MW289.76 g/mol
LogP1.24
Rot. Bonds5

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

N-[1-(aminomethyl)cyclopentyl]-5-(methoxymethyl)-1,2-oxazole-3-carboxamide;hydrochloride (PubChem CID 119566646) has the molecular formula C12H20ClN3O3 and a molecular weight of 289.76 g/mol. Its IUPAC name is N-[1-(aminomethyl)cyclopentyl]-5-(methoxymethyl)-1,2-oxazole-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[1-(aminomethyl)cyclopentyl]-5-(methoxymethyl)-1,2-oxazole-3-carboxamide;hydrochloride
PubChem CID119566646
Molecular FormulaC12H20ClN3O3
Molecular Weight289.76 g/mol
Exact Mass289.12
IUPAC NameN-[1-(aminomethyl)cyclopentyl]-5-(methoxymethyl)-1,2-oxazole-3-carboxamide;hydrochloride
SMILESCOCc1cc(C(=O)NC2(CN)CCCC2)no1.Cl
InChIInChI=1S/C12H19N3O3.ClH/c1-17-7-9-6-10(15-18-9)11(16)14-12(8-13)4-2-3-5-12;/h6H,2-5,7-8,13H2,1H3,(H,14,16);1H
InChIKeyNFVYOCKOMHKRIY-UHFFFAOYSA-N
XLogP1.24
TPSA90.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.76
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(aminomethyl)cyclopentyl]-5-(methoxymethyl)-1,2-oxazole-3-carboxamide
CID 66158360
5-(methoxymethyl)-N-[(3R)-3-methyloxolan-3-yl]-1,2-oxazole-3-carboxamide
CID 97244455
5-(methoxymethyl)-N-(3-methyloxolan-3-yl)-1,2-oxazole-3-carboxamide
CID 75390106
5-(methoxymethyl)-N-(4-methylpiperidin-4-yl)-1,2-oxazole-3-carboxamide
CID 114696404
N-[1-(aminomethyl)cyclopentyl]-3-methyl-1,2-oxazole-5-carboxamide;hydrochloride
CID 119568167
N-[[1-(chloromethyl)cyclopentyl]methyl]-5-(methoxymethyl)-1,2-oxazole-3-carboxamide
CID 113294761
N-cyclopentyloxy-5-(methoxymethyl)-1,2-oxazole-3-carboxamide
CID 83202345
5-(methoxymethyl)-N-[(2R)-2-methyl-3,4-dihydro-1H-naphthalen-2-yl]-1,2-oxazole-3-carboxamide
CID 96565847
N-[(2S)-1-aminopropan-2-yl]-5-(methoxymethyl)-1,2-oxazole-3-carboxamide
CID 120505183
N-[1-(aminomethyl)cyclopentyl]-3-pentan-3-yl-1,2-oxazole-5-carboxamide;hydrochloride
CID 119565191
methyl 5-(methoxymethyl)-1,2-oxazole-3-carboxylate
CID 13371025
N-[1-(aminomethyl)cyclopentyl]-1,2,5-thiadiazole-3-carboxamide;hydrochloride
CID 119566537

Frequently Asked Questions

What is the IUPAC name of N-[1-(aminomethyl)cyclopentyl]-5-(methoxymethyl)-1,2-oxazole-3-carboxamide;hydrochloride?
The IUPAC name of N-[1-(aminomethyl)cyclopentyl]-5-(methoxymethyl)-1,2-oxazole-3-carboxamide;hydrochloride (CID 119566646) is N-[1-(aminomethyl)cyclopentyl]-5-(methoxymethyl)-1,2-oxazole-3-carboxamide;hydrochloride.
What is the SMILES notation for N-[1-(aminomethyl)cyclopentyl]-5-(methoxymethyl)-1,2-oxazole-3-carboxamide;hydrochloride?
The canonical SMILES for N-[1-(aminomethyl)cyclopentyl]-5-(methoxymethyl)-1,2-oxazole-3-carboxamide;hydrochloride is COCc1cc(C(=O)NC2(CN)CCCC2)no1.Cl.
What is the InChIKey of N-[1-(aminomethyl)cyclopentyl]-5-(methoxymethyl)-1,2-oxazole-3-carboxamide;hydrochloride?
The InChIKey is NFVYOCKOMHKRIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O3.ClH/c1-17-7-9-6-10(15-18-9)11(16)14-12(8-13)4-2-3-5-12;/h6H,2-5,7-8,13H2,1H3,(H,14,16);1H.
What are the key properties of N-[1-(aminomethyl)cyclopentyl]-5-(methoxymethyl)-1,2-oxazole-3-carboxamide;hydrochloride?
N-[1-(aminomethyl)cyclopentyl]-5-(methoxymethyl)-1,2-oxazole-3-carboxamide;hydrochloride has a molecular weight of 289.76 g/mol, XLogP of 1.24, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(aminomethyl)cyclopentyl]-5-(methoxymethyl)-1,2-oxazole-3-carboxamide;hydrochloride is sourced from PubChem (CID 119566646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).