N-(3-bromo-2-methylpropyl)-2,4-dimethyl-1,3-oxazole-5-carboxamide

C10H15BrN2O2 — CID 114313428

IUPACN-(3-bromo-2-methylpropyl)-2,4-dimethyl-1,3-oxazole-5-carboxamide
SMILESCc1nc(C)c(C(=O)NCC(C)CBr)o1
InChIInChI=1S/C10H15BrN2O2/c1-6(4-11)5-12-10(14)9-7(2)13-8(3)15-9/h6H,4-5H2,1-3H3,(H,12,14)
InChIKeyHICRFBUZIJEPAR-UHFFFAOYSA-N
MW275.15 g/mol
LogP2.05
Rot. Bonds4

About N-(3-bromo-2-methylpropyl)-2,4-dimethyl-1,3-oxazole-5-carboxamide

N-(3-bromo-2-methylpropyl)-2,4-dimethyl-1,3-oxazole-5-carboxamide (PubChem CID 114313428) has the molecular formula C10H15BrN2O2 and a molecular weight of 275.15 g/mol. Its IUPAC name is N-(3-bromo-2-methylpropyl)-2,4-dimethyl-1,3-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-(3-bromo-2-methylpropyl)-2,4-dimethyl-1,3-oxazole-5-carboxamide
PubChem CID114313428
Molecular FormulaC10H15BrN2O2
Molecular Weight275.15 g/mol
Exact Mass274.03
IUPAC NameN-(3-bromo-2-methylpropyl)-2,4-dimethyl-1,3-oxazole-5-carboxamide
SMILESCc1nc(C)c(C(=O)NCC(C)CBr)o1
InChIInChI=1S/C10H15BrN2O2/c1-6(4-11)5-12-10(14)9-7(2)13-8(3)15-9/h6H,4-5H2,1-3H3,(H,12,14)
InChIKeyHICRFBUZIJEPAR-UHFFFAOYSA-N
XLogP2.05
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.15
LogP ≤ 52.05
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-(2-chloropropyl)-2,4-dimethyl-1,3-oxazole-5-carboxamide
CID 114296555
N-(2-cyanopropyl)-2,4-dimethyl-1,3-oxazole-5-carboxamide
CID 79026402
(2S)-3-[(2,4-dimethyl-1,3-oxazole-5-carbonyl)amino]-2-hydroxypropanoic acid
CID 107833856
N-[(2R)-2-(ethylamino)propyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide;hydrochloride
CID 120651676
N-(2-bromo-4,4-dimethylpentyl)-2,4-dimethyl-1,3-oxazole-5-carboxamide
CID 107156647
N-(1-bromobutan-2-yl)-2,4-dimethyl-1,3-oxazole-5-carboxamide
CID 114307729
N-(2-amino-2-cyclopropylethyl)-2,4-dimethyl-1,3-oxazole-5-carboxamide
CID 115301105
N-(2-methoxyethyl)-2,4-dimethyl-1,3-oxazole-5-carboxamide
CID 110684796
N-[[1-(bromomethyl)cyclopentyl]methyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide
CID 113294868
N-(1-chloropropan-2-yl)-2,4-dimethyl-1,3-oxazole-5-carboxamide
CID 114299594
N-[[4-(hydroxymethyl)phenyl]methyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide
CID 107231345
N-(5-hydroxypentyl)-2,4-dimethyl-1,3-oxazole-5-carboxamide
CID 107318424

Frequently Asked Questions

What is the IUPAC name of N-(3-bromo-2-methylpropyl)-2,4-dimethyl-1,3-oxazole-5-carboxamide?
The IUPAC name of N-(3-bromo-2-methylpropyl)-2,4-dimethyl-1,3-oxazole-5-carboxamide (CID 114313428) is N-(3-bromo-2-methylpropyl)-2,4-dimethyl-1,3-oxazole-5-carboxamide.
What is the SMILES notation for N-(3-bromo-2-methylpropyl)-2,4-dimethyl-1,3-oxazole-5-carboxamide?
The canonical SMILES for N-(3-bromo-2-methylpropyl)-2,4-dimethyl-1,3-oxazole-5-carboxamide is Cc1nc(C)c(C(=O)NCC(C)CBr)o1.
What is the InChIKey of N-(3-bromo-2-methylpropyl)-2,4-dimethyl-1,3-oxazole-5-carboxamide?
The InChIKey is HICRFBUZIJEPAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15BrN2O2/c1-6(4-11)5-12-10(14)9-7(2)13-8(3)15-9/h6H,4-5H2,1-3H3,(H,12,14).
What are the key properties of N-(3-bromo-2-methylpropyl)-2,4-dimethyl-1,3-oxazole-5-carboxamide?
N-(3-bromo-2-methylpropyl)-2,4-dimethyl-1,3-oxazole-5-carboxamide has a molecular weight of 275.15 g/mol, XLogP of 2.05, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromo-2-methylpropyl)-2,4-dimethyl-1,3-oxazole-5-carboxamide is sourced from PubChem (CID 114313428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).