N-[(2-chlorocyclopentyl)methyl]-4-methyl-1,3-oxazole-5-carboxamide

C11H15ClN2O2 — CID 114303022

IUPACN-[(2-chlorocyclopentyl)methyl]-4-methyl-1,3-oxazole-5-carboxamide
SMILESCc1ncoc1C(=O)NCC1CCCC1Cl
InChIInChI=1S/C11H15ClN2O2/c1-7-10(16-6-14-7)11(15)13-5-8-3-2-4-9(8)12/h6,8-9H,2-5H2,1H3,(H,13,15)
InChIKeyGPYBTJFRPRENAU-UHFFFAOYSA-N
MW242.71 g/mol
LogP2.12
Rot. Bonds3

About N-[(2-chlorocyclopentyl)methyl]-4-methyl-1,3-oxazole-5-carboxamide

N-[(2-chlorocyclopentyl)methyl]-4-methyl-1,3-oxazole-5-carboxamide (PubChem CID 114303022) has the molecular formula C11H15ClN2O2 and a molecular weight of 242.71 g/mol. Its IUPAC name is N-[(2-chlorocyclopentyl)methyl]-4-methyl-1,3-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-[(2-chlorocyclopentyl)methyl]-4-methyl-1,3-oxazole-5-carboxamide
PubChem CID114303022
Molecular FormulaC11H15ClN2O2
Molecular Weight242.71 g/mol
Exact Mass242.08
IUPAC NameN-[(2-chlorocyclopentyl)methyl]-4-methyl-1,3-oxazole-5-carboxamide
SMILESCc1ncoc1C(=O)NCC1CCCC1Cl
InChIInChI=1S/C11H15ClN2O2/c1-7-10(16-6-14-7)11(15)13-5-8-3-2-4-9(8)12/h6,8-9H,2-5H2,1H3,(H,13,15)
InChIKeyGPYBTJFRPRENAU-UHFFFAOYSA-N
XLogP2.12
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.71
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(azetidin-3-ylmethyl)-4-methyl-1,3-oxazole-5-carboxamide
CID 127017043
4-tert-butyl-N-[(2-chlorocyclopentyl)methyl]benzamide
CID 114303084
N-[(2-chlorocyclopentyl)methyl]-2-methylbenzamide
CID 114303000
N-[2-(bromomethyl)cyclohexyl]-4-methyl-1,3-oxazole-5-carboxamide
CID 106367227
N-[(2-chlorocyclohexyl)methyl]pyrimidine-5-carboxamide
CID 102922761
N-[[1-(chloromethyl)cyclopentyl]methyl]-4-methyl-1,3-oxazole-5-carboxamide
CID 115364085
5-chloro-N-[(2-chlorocyclopentyl)methyl]pyridine-2-carboxamide
CID 114303054
N-[(2-chlorocyclopentyl)methyl]-4,5-dimethylthiophene-2-carboxamide
CID 114303260
N-[(2-chlorocyclopentyl)methyl]thiophene-2-carboxamide
CID 114302998
N-[(2-chlorocyclopentyl)methyl]thiophene-3-carboxamide
CID 114303164
N-[(1R,2R,3R)-2,3-dihydroxycyclohexyl]-4-methyl-1,3-oxazole-5-carboxamide
CID 110125439
N-[(2-chlorocyclopentyl)methyl]pyridazine-4-carboxamide
CID 104672632

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorocyclopentyl)methyl]-4-methyl-1,3-oxazole-5-carboxamide?
The IUPAC name of N-[(2-chlorocyclopentyl)methyl]-4-methyl-1,3-oxazole-5-carboxamide (CID 114303022) is N-[(2-chlorocyclopentyl)methyl]-4-methyl-1,3-oxazole-5-carboxamide.
What is the SMILES notation for N-[(2-chlorocyclopentyl)methyl]-4-methyl-1,3-oxazole-5-carboxamide?
The canonical SMILES for N-[(2-chlorocyclopentyl)methyl]-4-methyl-1,3-oxazole-5-carboxamide is Cc1ncoc1C(=O)NCC1CCCC1Cl.
What is the InChIKey of N-[(2-chlorocyclopentyl)methyl]-4-methyl-1,3-oxazole-5-carboxamide?
The InChIKey is GPYBTJFRPRENAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN2O2/c1-7-10(16-6-14-7)11(15)13-5-8-3-2-4-9(8)12/h6,8-9H,2-5H2,1H3,(H,13,15).
What are the key properties of N-[(2-chlorocyclopentyl)methyl]-4-methyl-1,3-oxazole-5-carboxamide?
N-[(2-chlorocyclopentyl)methyl]-4-methyl-1,3-oxazole-5-carboxamide has a molecular weight of 242.71 g/mol, XLogP of 2.12, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorocyclopentyl)methyl]-4-methyl-1,3-oxazole-5-carboxamide is sourced from PubChem (CID 114303022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).