N-[[1-(chloromethyl)cyclopentyl]methyl]-5-(methoxymethyl)-1,2-oxazole-3-carboxamide

C13H19ClN2O3 — CID 113294761

IUPACN-[[1-(chloromethyl)cyclopentyl]methyl]-5-(methoxymethyl)-1,2-oxazole-3-carboxamide
SMILESCOCc1cc(C(=O)NCC2(CCl)CCCC2)no1
InChIInChI=1S/C13H19ClN2O3/c1-18-7-10-6-11(16-19-10)12(17)15-9-13(8-14)4-2-3-5-13/h6H,2-5,7-9H2,1H3,(H,15,17)
InChIKeyXZZIOKGMPMJFPV-UHFFFAOYSA-N
MW286.76 g/mol
LogP2.35
Rot. Bonds6

About N-[[1-(chloromethyl)cyclopentyl]methyl]-5-(methoxymethyl)-1,2-oxazole-3-carboxamide

N-[[1-(chloromethyl)cyclopentyl]methyl]-5-(methoxymethyl)-1,2-oxazole-3-carboxamide (PubChem CID 113294761) has the molecular formula C13H19ClN2O3 and a molecular weight of 286.76 g/mol. Its IUPAC name is N-[[1-(chloromethyl)cyclopentyl]methyl]-5-(methoxymethyl)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[[1-(chloromethyl)cyclopentyl]methyl]-5-(methoxymethyl)-1,2-oxazole-3-carboxamide
PubChem CID113294761
Molecular FormulaC13H19ClN2O3
Molecular Weight286.76 g/mol
Exact Mass286.11
IUPAC NameN-[[1-(chloromethyl)cyclopentyl]methyl]-5-(methoxymethyl)-1,2-oxazole-3-carboxamide
SMILESCOCc1cc(C(=O)NCC2(CCl)CCCC2)no1
InChIInChI=1S/C13H19ClN2O3/c1-18-7-10-6-11(16-19-10)12(17)15-9-13(8-14)4-2-3-5-13/h6H,2-5,7-9H2,1H3,(H,15,17)
InChIKeyXZZIOKGMPMJFPV-UHFFFAOYSA-N
XLogP2.35
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.76
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze N-[[1-(chloromethyl)cyclopentyl]methyl]-5-(methoxymethyl)-1,2-oxazole-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]-5-(methoxymethyl)-1,2-oxazole-3-carboxamide
CID 66156972
N-[1-(aminomethyl)cyclopentyl]-5-(methoxymethyl)-1,2-oxazole-3-carboxamide
CID 66158360
N-[1-(aminomethyl)cyclopentyl]-5-(methoxymethyl)-1,2-oxazole-3-carboxamide;hydrochloride
CID 119566646
N-(3-bromo-2,2-dimethylpropyl)-5-(methoxymethyl)-1,2-oxazole-3-carboxamide
CID 115364910
N-[(2-hydroxycyclohexyl)methyl]-5-(methoxymethyl)-1,2-oxazole-3-carboxamide
CID 66156374
N-(2-ethyl-2-hydroxybutyl)-5-(methoxymethyl)-1,2-oxazole-3-carboxamide
CID 66156577
5-(methoxymethyl)-N-(4-methylpiperidin-4-yl)-1,2-oxazole-3-carboxamide
CID 114696404
5-(methoxymethyl)-N-[(3R)-3-methyloxolan-3-yl]-1,2-oxazole-3-carboxamide
CID 97244455
N-[2-(bromomethyl)-2-ethylbutyl]-5-(methoxymethyl)-1,2-oxazole-3-carboxamide
CID 114164791
5-(methoxymethyl)-N-(3-methyloxolan-3-yl)-1,2-oxazole-3-carboxamide
CID 75390106
methyl 5-(methoxymethyl)-1,2-oxazole-3-carboxylate
CID 13371025
N-[(3-hydroxycyclohexyl)methyl]-5-(methoxymethyl)-1,2-oxazole-3-carboxamide
CID 103707640

Frequently Asked Questions

What is the IUPAC name of N-[[1-(chloromethyl)cyclopentyl]methyl]-5-(methoxymethyl)-1,2-oxazole-3-carboxamide?
The IUPAC name of N-[[1-(chloromethyl)cyclopentyl]methyl]-5-(methoxymethyl)-1,2-oxazole-3-carboxamide (CID 113294761) is N-[[1-(chloromethyl)cyclopentyl]methyl]-5-(methoxymethyl)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-[[1-(chloromethyl)cyclopentyl]methyl]-5-(methoxymethyl)-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[[1-(chloromethyl)cyclopentyl]methyl]-5-(methoxymethyl)-1,2-oxazole-3-carboxamide is COCc1cc(C(=O)NCC2(CCl)CCCC2)no1.
What is the InChIKey of N-[[1-(chloromethyl)cyclopentyl]methyl]-5-(methoxymethyl)-1,2-oxazole-3-carboxamide?
The InChIKey is XZZIOKGMPMJFPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2O3/c1-18-7-10-6-11(16-19-10)12(17)15-9-13(8-14)4-2-3-5-13/h6H,2-5,7-9H2,1H3,(H,15,17).
What are the key properties of N-[[1-(chloromethyl)cyclopentyl]methyl]-5-(methoxymethyl)-1,2-oxazole-3-carboxamide?
N-[[1-(chloromethyl)cyclopentyl]methyl]-5-(methoxymethyl)-1,2-oxazole-3-carboxamide has a molecular weight of 286.76 g/mol, XLogP of 2.35, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(chloromethyl)cyclopentyl]methyl]-5-(methoxymethyl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 113294761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).