N-[[1-(chloromethyl)cyclopentyl]methyl]-4-methyl-1,3-oxazole-5-carboxamide

C12H17ClN2O2 — CID 115364085

IUPACN-[[1-(chloromethyl)cyclopentyl]methyl]-4-methyl-1,3-oxazole-5-carboxamide
SMILESCc1ncoc1C(=O)NCC1(CCl)CCCC1
InChIInChI=1S/C12H17ClN2O2/c1-9-10(17-8-15-9)11(16)14-7-12(6-13)4-2-3-5-12/h8H,2-7H2,1H3,(H,14,16)
InChIKeyQXQNNHNBXVBZHU-UHFFFAOYSA-N
MW256.73 g/mol
LogP2.51
Rot. Bonds4

About N-[[1-(chloromethyl)cyclopentyl]methyl]-4-methyl-1,3-oxazole-5-carboxamide

N-[[1-(chloromethyl)cyclopentyl]methyl]-4-methyl-1,3-oxazole-5-carboxamide (PubChem CID 115364085) has the molecular formula C12H17ClN2O2 and a molecular weight of 256.73 g/mol. Its IUPAC name is N-[[1-(chloromethyl)cyclopentyl]methyl]-4-methyl-1,3-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-[[1-(chloromethyl)cyclopentyl]methyl]-4-methyl-1,3-oxazole-5-carboxamide
PubChem CID115364085
Molecular FormulaC12H17ClN2O2
Molecular Weight256.73 g/mol
Exact Mass256.10
IUPAC NameN-[[1-(chloromethyl)cyclopentyl]methyl]-4-methyl-1,3-oxazole-5-carboxamide
SMILESCc1ncoc1C(=O)NCC1(CCl)CCCC1
InChIInChI=1S/C12H17ClN2O2/c1-9-10(17-8-15-9)11(16)14-7-12(6-13)4-2-3-5-12/h8H,2-7H2,1H3,(H,14,16)
InChIKeyQXQNNHNBXVBZHU-UHFFFAOYSA-N
XLogP2.51
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.73
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[[1-(chloromethyl)cyclopentyl]methyl]-4-methyl-1,3-oxazole-5-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-(bromomethyl)cyclopentyl]methyl]-4-methyl-1,3-oxazole-5-carboxamide
CID 115364372
N-[[1-(chloromethyl)cyclopentyl]methyl]-5-methylpyridine-3-carboxamide
CID 113294750
N-[(2-chlorocyclopentyl)methyl]-4-methyl-1,3-oxazole-5-carboxamide
CID 114303022
N-[[1-(chloromethyl)cyclohexyl]methyl]-3-methylpyridine-2-carboxamide
CID 103969592
N-(azetidin-3-ylmethyl)-4-methyl-1,3-oxazole-5-carboxamide
CID 127017043
N-[[1-(chloromethyl)cyclohexyl]methyl]pyridine-4-carboxamide
CID 113359945
N-[[1-(chloromethyl)cyclopentyl]methyl]-3-methylthiophene-2-carboxamide
CID 115364037
2-chloro-N-[[1-(chloromethyl)cyclohexyl]methyl]furan-3-carboxamide
CID 106690116
N-[[1-(chloromethyl)cyclohexyl]methyl]-3-hydroxy-2-methylbenzamide
CID 103969522
N-[[1-(chloromethyl)cyclohexyl]methyl]-2,3-dimethylbenzamide
CID 103969399
N-[[1-(5-fluoro-2-pyridinyl)-3-hydroxypiperidin-3-yl]methyl]-4-methyl-1,3-oxazole-5-carboxamide
CID 110124157
N-[2-(2-chloroethyl)pentyl]-4-methyl-1,3-oxazole-5-carboxamide
CID 106117620

Frequently Asked Questions

What is the IUPAC name of N-[[1-(chloromethyl)cyclopentyl]methyl]-4-methyl-1,3-oxazole-5-carboxamide?
The IUPAC name of N-[[1-(chloromethyl)cyclopentyl]methyl]-4-methyl-1,3-oxazole-5-carboxamide (CID 115364085) is N-[[1-(chloromethyl)cyclopentyl]methyl]-4-methyl-1,3-oxazole-5-carboxamide.
What is the SMILES notation for N-[[1-(chloromethyl)cyclopentyl]methyl]-4-methyl-1,3-oxazole-5-carboxamide?
The canonical SMILES for N-[[1-(chloromethyl)cyclopentyl]methyl]-4-methyl-1,3-oxazole-5-carboxamide is Cc1ncoc1C(=O)NCC1(CCl)CCCC1.
What is the InChIKey of N-[[1-(chloromethyl)cyclopentyl]methyl]-4-methyl-1,3-oxazole-5-carboxamide?
The InChIKey is QXQNNHNBXVBZHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2O2/c1-9-10(17-8-15-9)11(16)14-7-12(6-13)4-2-3-5-12/h8H,2-7H2,1H3,(H,14,16).
What are the key properties of N-[[1-(chloromethyl)cyclopentyl]methyl]-4-methyl-1,3-oxazole-5-carboxamide?
N-[[1-(chloromethyl)cyclopentyl]methyl]-4-methyl-1,3-oxazole-5-carboxamide has a molecular weight of 256.73 g/mol, XLogP of 2.51, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(chloromethyl)cyclopentyl]methyl]-4-methyl-1,3-oxazole-5-carboxamide is sourced from PubChem (CID 115364085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).