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

C11H15ClN2O2 — CID 106127580

IUPACN-[(3-chlorocyclopentyl)methyl]-3-methyl-1,2-oxazole-5-carboxamide
SMILESCc1cc(C(=O)NCC2CCC(Cl)C2)on1
InChIInChI=1S/C11H15ClN2O2/c1-7-4-10(16-14-7)11(15)13-6-8-2-3-9(12)5-8/h4,8-9H,2-3,5-6H2,1H3,(H,13,15)
InChIKeyLPOZWFHVSULFBD-UHFFFAOYSA-N
MW242.71 g/mol
LogP2.12
Rot. Bonds3

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

N-[(3-chlorocyclopentyl)methyl]-3-methyl-1,2-oxazole-5-carboxamide (PubChem CID 106127580) has the molecular formula C11H15ClN2O2 and a molecular weight of 242.71 g/mol. Its IUPAC name is N-[(3-chlorocyclopentyl)methyl]-3-methyl-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-[(3-chlorocyclopentyl)methyl]-3-methyl-1,2-oxazole-5-carboxamide
PubChem CID106127580
Molecular FormulaC11H15ClN2O2
Molecular Weight242.71 g/mol
Exact Mass242.08
IUPAC NameN-[(3-chlorocyclopentyl)methyl]-3-methyl-1,2-oxazole-5-carboxamide
SMILESCc1cc(C(=O)NCC2CCC(Cl)C2)on1
InChIInChI=1S/C11H15ClN2O2/c1-7-4-10(16-14-7)11(15)13-6-8-2-3-9(12)5-8/h4,8-9H,2-3,5-6H2,1H3,(H,13,15)
InChIKeyLPOZWFHVSULFBD-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-[(3-hydroxycyclopentyl)methyl]-3-methyl-1,2-oxazole-5-carboxamide
CID 103280197
3-methyl-N-(piperidin-3-ylmethyl)-1,2-oxazole-5-carboxamide;hydrochloride
CID 119464222
3-methyl-N-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]-1,2-oxazole-5-carboxamide
CID 99827620
N-[[2-(bromomethyl)cyclopentyl]methyl]-3-methyl-1,2-oxazole-5-carboxamide
CID 114317011
N-[(3-chlorocyclopentyl)methyl]-2-methylpyridine-4-carboxamide
CID 106126288
N-[(3-chlorocyclopentyl)methyl]-6-methylpyridine-3-carboxamide
CID 106127191
N-[[(2S,3R)-2-tert-butyloxolan-3-yl]methyl]-3-methyl-1,2-oxazole-5-carboxamide
CID 129001930
3-methyl-N-[[4-[2-methyl-5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]cyclohexyl]methyl]-1,2-oxazole-5-carboxamide
CID 98134449
3-methyl-N-[4-[(3-methyl-1,2-oxazole-5-carbonyl)amino]cyclohexyl]-1,2-oxazole-5-carboxamide
CID 127423482
3,5-dichloro-N-[(3-chlorocyclopentyl)methyl]benzamide
CID 114147068
N-(4-chloropentyl)-3-methyl-1,2-oxazole-5-carboxamide
CID 106130200
N-[(3-chlorocyclohexyl)methyl]-5-methylfuran-3-carboxamide
CID 106132172

Frequently Asked Questions

What is the IUPAC name of N-[(3-chlorocyclopentyl)methyl]-3-methyl-1,2-oxazole-5-carboxamide?
The IUPAC name of N-[(3-chlorocyclopentyl)methyl]-3-methyl-1,2-oxazole-5-carboxamide (CID 106127580) is N-[(3-chlorocyclopentyl)methyl]-3-methyl-1,2-oxazole-5-carboxamide.
What is the SMILES notation for N-[(3-chlorocyclopentyl)methyl]-3-methyl-1,2-oxazole-5-carboxamide?
The canonical SMILES for N-[(3-chlorocyclopentyl)methyl]-3-methyl-1,2-oxazole-5-carboxamide is Cc1cc(C(=O)NCC2CCC(Cl)C2)on1.
What is the InChIKey of N-[(3-chlorocyclopentyl)methyl]-3-methyl-1,2-oxazole-5-carboxamide?
The InChIKey is LPOZWFHVSULFBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN2O2/c1-7-4-10(16-14-7)11(15)13-6-8-2-3-9(12)5-8/h4,8-9H,2-3,5-6H2,1H3,(H,13,15).
What are the key properties of N-[(3-chlorocyclopentyl)methyl]-3-methyl-1,2-oxazole-5-carboxamide?
N-[(3-chlorocyclopentyl)methyl]-3-methyl-1,2-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-[(3-chlorocyclopentyl)methyl]-3-methyl-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 106127580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).