N-(2-bromo-3-ethylpentyl)-4-methyl-1,3-oxazole-5-carboxamide

C12H19BrN2O2 — CID 106288404

IUPACN-(2-bromo-3-ethylpentyl)-4-methyl-1,3-oxazole-5-carboxamide
SMILESCCC(CC)C(Br)CNC(=O)c1ocnc1C
InChIInChI=1S/C12H19BrN2O2/c1-4-9(5-2)10(13)6-14-12(16)11-8(3)15-7-17-11/h7,9-10H,4-6H2,1-3H3,(H,14,16)
InChIKeyVMWWITLPEXFWTR-UHFFFAOYSA-N
MW303.20 g/mol
LogP2.91
Rot. Bonds6

About N-(2-bromo-3-ethylpentyl)-4-methyl-1,3-oxazole-5-carboxamide

N-(2-bromo-3-ethylpentyl)-4-methyl-1,3-oxazole-5-carboxamide (PubChem CID 106288404) has the molecular formula C12H19BrN2O2 and a molecular weight of 303.20 g/mol. Its IUPAC name is N-(2-bromo-3-ethylpentyl)-4-methyl-1,3-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-(2-bromo-3-ethylpentyl)-4-methyl-1,3-oxazole-5-carboxamide
PubChem CID106288404
Molecular FormulaC12H19BrN2O2
Molecular Weight303.20 g/mol
Exact Mass302.06
IUPAC NameN-(2-bromo-3-ethylpentyl)-4-methyl-1,3-oxazole-5-carboxamide
SMILESCCC(CC)C(Br)CNC(=O)c1ocnc1C
InChIInChI=1S/C12H19BrN2O2/c1-4-9(5-2)10(13)6-14-12(16)11-8(3)15-7-17-11/h7,9-10H,4-6H2,1-3H3,(H,14,16)
InChIKeyVMWWITLPEXFWTR-UHFFFAOYSA-N
XLogP2.91
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.20
LogP ≤ 52.91
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-amino-2-methylpropyl)-4-methyl-1,3-oxazole-5-carboxamide
CID 83619478
N-[2-(2-chloroethyl)pentyl]-4-methyl-1,3-oxazole-5-carboxamide
CID 106117620
N-(2-hydroxy-2-phenylethyl)-4-methyl-1,3-oxazole-5-carboxamide
CID 79881793
N-(2-chloro-4,4-dimethylpentyl)-4-methyl-1,3-oxazole-5-carboxamide
CID 107157028
N-(3-bromo-4-methoxybutyl)-4-methyl-1,3-oxazole-5-carboxamide
CID 106245346
4-bromo-N-(2-bromo-3-ethylpentyl)benzamide
CID 114168864
N-(2-bromo-3-ethylpentyl)-2,4-dimethyl-1,3-thiazole-5-carboxamide
CID 114168808
N-ethoxy-4-methyl-1,3-oxazole-5-carboxamide
CID 79486908
N-(azetidin-3-ylmethyl)-4-methyl-1,3-oxazole-5-carboxamide
CID 127017043
N-(2-bromo-3-ethylpentyl)-5-fluoropyridine-2-carboxamide
CID 106288255
4-methyl-N-pent-3-ynyl-1,3-oxazole-5-carboxamide
CID 104581007
N-(2-bromo-3-ethylpentyl)-4-(trifluoromethyl)benzamide
CID 106288527

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-3-ethylpentyl)-4-methyl-1,3-oxazole-5-carboxamide?
The IUPAC name of N-(2-bromo-3-ethylpentyl)-4-methyl-1,3-oxazole-5-carboxamide (CID 106288404) is N-(2-bromo-3-ethylpentyl)-4-methyl-1,3-oxazole-5-carboxamide.
What is the SMILES notation for N-(2-bromo-3-ethylpentyl)-4-methyl-1,3-oxazole-5-carboxamide?
The canonical SMILES for N-(2-bromo-3-ethylpentyl)-4-methyl-1,3-oxazole-5-carboxamide is CCC(CC)C(Br)CNC(=O)c1ocnc1C.
What is the InChIKey of N-(2-bromo-3-ethylpentyl)-4-methyl-1,3-oxazole-5-carboxamide?
The InChIKey is VMWWITLPEXFWTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19BrN2O2/c1-4-9(5-2)10(13)6-14-12(16)11-8(3)15-7-17-11/h7,9-10H,4-6H2,1-3H3,(H,14,16).
What are the key properties of N-(2-bromo-3-ethylpentyl)-4-methyl-1,3-oxazole-5-carboxamide?
N-(2-bromo-3-ethylpentyl)-4-methyl-1,3-oxazole-5-carboxamide has a molecular weight of 303.20 g/mol, XLogP of 2.91, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-3-ethylpentyl)-4-methyl-1,3-oxazole-5-carboxamide is sourced from PubChem (CID 106288404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).