N-[[1-(bromomethyl)cyclopentyl]methyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide

C13H19BrN2O2 — CID 113294868

IUPACN-[[1-(bromomethyl)cyclopentyl]methyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide
SMILESCc1nc(C)c(C(=O)NCC2(CBr)CCCC2)o1
InChIInChI=1S/C13H19BrN2O2/c1-9-11(18-10(2)16-9)12(17)15-8-13(7-14)5-3-4-6-13/h3-8H2,1-2H3,(H,15,17)
InChIKeyWDBIZXFRXWISNS-UHFFFAOYSA-N
MW315.21 g/mol
LogP2.98
Rot. Bonds4

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

N-[[1-(bromomethyl)cyclopentyl]methyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide (PubChem CID 113294868) has the molecular formula C13H19BrN2O2 and a molecular weight of 315.21 g/mol. Its IUPAC name is N-[[1-(bromomethyl)cyclopentyl]methyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-[[1-(bromomethyl)cyclopentyl]methyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide
PubChem CID113294868
Molecular FormulaC13H19BrN2O2
Molecular Weight315.21 g/mol
Exact Mass314.06
IUPAC NameN-[[1-(bromomethyl)cyclopentyl]methyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide
SMILESCc1nc(C)c(C(=O)NCC2(CBr)CCCC2)o1
InChIInChI=1S/C13H19BrN2O2/c1-9-11(18-10(2)16-9)12(17)15-8-13(7-14)5-3-4-6-13/h3-8H2,1-2H3,(H,15,17)
InChIKeyWDBIZXFRXWISNS-UHFFFAOYSA-N
XLogP2.98
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.21
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(bromomethyl)cyclopentyl]methyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide?
The IUPAC name of N-[[1-(bromomethyl)cyclopentyl]methyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide (CID 113294868) is N-[[1-(bromomethyl)cyclopentyl]methyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide.
What is the SMILES notation for N-[[1-(bromomethyl)cyclopentyl]methyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide?
The canonical SMILES for N-[[1-(bromomethyl)cyclopentyl]methyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide is Cc1nc(C)c(C(=O)NCC2(CBr)CCCC2)o1.
What is the InChIKey of N-[[1-(bromomethyl)cyclopentyl]methyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide?
The InChIKey is WDBIZXFRXWISNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrN2O2/c1-9-11(18-10(2)16-9)12(17)15-8-13(7-14)5-3-4-6-13/h3-8H2,1-2H3,(H,15,17).
What are the key properties of N-[[1-(bromomethyl)cyclopentyl]methyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide?
N-[[1-(bromomethyl)cyclopentyl]methyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide has a molecular weight of 315.21 g/mol, XLogP of 2.98, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(bromomethyl)cyclopentyl]methyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide is sourced from PubChem (CID 113294868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).