N-(2-bromoethyl)-N-(2,2-difluoroethyl)-2,4-dimethyl-1,3-oxazole-5-carboxamide

C10H13BrF2N2O2 — CID 107491761

IUPACN-(2-bromoethyl)-N-(2,2-difluoroethyl)-2,4-dimethyl-1,3-oxazole-5-carboxamide
SMILESCc1nc(C)c(C(=O)N(CCBr)CC(F)F)o1
InChIInChI=1S/C10H13BrF2N2O2/c1-6-9(17-7(2)14-6)10(16)15(4-3-11)5-8(12)13/h8H,3-5H2,1-2H3
InChIKeyRZTBBTLYVANXIQ-UHFFFAOYSA-N
MW311.13 g/mol
LogP2.39
Rot. Bonds5

About N-(2-bromoethyl)-N-(2,2-difluoroethyl)-2,4-dimethyl-1,3-oxazole-5-carboxamide

N-(2-bromoethyl)-N-(2,2-difluoroethyl)-2,4-dimethyl-1,3-oxazole-5-carboxamide (PubChem CID 107491761) has the molecular formula C10H13BrF2N2O2 and a molecular weight of 311.13 g/mol. Its IUPAC name is N-(2-bromoethyl)-N-(2,2-difluoroethyl)-2,4-dimethyl-1,3-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-(2-bromoethyl)-N-(2,2-difluoroethyl)-2,4-dimethyl-1,3-oxazole-5-carboxamide
PubChem CID107491761
Molecular FormulaC10H13BrF2N2O2
Molecular Weight311.13 g/mol
Exact Mass310.01
IUPAC NameN-(2-bromoethyl)-N-(2,2-difluoroethyl)-2,4-dimethyl-1,3-oxazole-5-carboxamide
SMILESCc1nc(C)c(C(=O)N(CCBr)CC(F)F)o1
InChIInChI=1S/C10H13BrF2N2O2/c1-6-9(17-7(2)14-6)10(16)15(4-3-11)5-8(12)13/h8H,3-5H2,1-2H3
InChIKeyRZTBBTLYVANXIQ-UHFFFAOYSA-N
XLogP2.39
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.13
LogP ≤ 52.39
H-Bond Donors ≤ 50
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-(2-bromoethyl)-N-(2,2-difluoroethyl)-2,4-dimethyl-1,3-oxazole-5-carboxamide?
The IUPAC name of N-(2-bromoethyl)-N-(2,2-difluoroethyl)-2,4-dimethyl-1,3-oxazole-5-carboxamide (CID 107491761) is N-(2-bromoethyl)-N-(2,2-difluoroethyl)-2,4-dimethyl-1,3-oxazole-5-carboxamide.
What is the SMILES notation for N-(2-bromoethyl)-N-(2,2-difluoroethyl)-2,4-dimethyl-1,3-oxazole-5-carboxamide?
The canonical SMILES for N-(2-bromoethyl)-N-(2,2-difluoroethyl)-2,4-dimethyl-1,3-oxazole-5-carboxamide is Cc1nc(C)c(C(=O)N(CCBr)CC(F)F)o1.
What is the InChIKey of N-(2-bromoethyl)-N-(2,2-difluoroethyl)-2,4-dimethyl-1,3-oxazole-5-carboxamide?
The InChIKey is RZTBBTLYVANXIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrF2N2O2/c1-6-9(17-7(2)14-6)10(16)15(4-3-11)5-8(12)13/h8H,3-5H2,1-2H3.
What are the key properties of N-(2-bromoethyl)-N-(2,2-difluoroethyl)-2,4-dimethyl-1,3-oxazole-5-carboxamide?
N-(2-bromoethyl)-N-(2,2-difluoroethyl)-2,4-dimethyl-1,3-oxazole-5-carboxamide has a molecular weight of 311.13 g/mol, XLogP of 2.39, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromoethyl)-N-(2,2-difluoroethyl)-2,4-dimethyl-1,3-oxazole-5-carboxamide is sourced from PubChem (CID 107491761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).