N-(1-bromobutan-2-yl)-2,4-dimethyl-1,3-oxazole-5-carboxamide

C10H15BrN2O2 — CID 114307729

IUPACN-(1-bromobutan-2-yl)-2,4-dimethyl-1,3-oxazole-5-carboxamide
SMILESCCC(CBr)NC(=O)c1oc(C)nc1C
InChIInChI=1S/C10H15BrN2O2/c1-4-8(5-11)13-10(14)9-6(2)12-7(3)15-9/h8H,4-5H2,1-3H3,(H,13,14)
InChIKeyUTNLESADQFXSFR-UHFFFAOYSA-N
MW275.15 g/mol
LogP2.19
Rot. Bonds4

About N-(1-bromobutan-2-yl)-2,4-dimethyl-1,3-oxazole-5-carboxamide

N-(1-bromobutan-2-yl)-2,4-dimethyl-1,3-oxazole-5-carboxamide (PubChem CID 114307729) has the molecular formula C10H15BrN2O2 and a molecular weight of 275.15 g/mol. Its IUPAC name is N-(1-bromobutan-2-yl)-2,4-dimethyl-1,3-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-(1-bromobutan-2-yl)-2,4-dimethyl-1,3-oxazole-5-carboxamide
PubChem CID114307729
Molecular FormulaC10H15BrN2O2
Molecular Weight275.15 g/mol
Exact Mass274.03
IUPAC NameN-(1-bromobutan-2-yl)-2,4-dimethyl-1,3-oxazole-5-carboxamide
SMILESCCC(CBr)NC(=O)c1oc(C)nc1C
InChIInChI=1S/C10H15BrN2O2/c1-4-8(5-11)13-10(14)9-6(2)12-7(3)15-9/h8H,4-5H2,1-3H3,(H,13,14)
InChIKeyUTNLESADQFXSFR-UHFFFAOYSA-N
XLogP2.19
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 ≤ 52.19
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-bromo-2-methylpropyl)-2,4-dimethyl-1,3-oxazole-5-carboxamide
CID 114313428
N-(1-chloro-4-methylpentan-2-yl)-2,4-dimethyl-1,3-oxazole-5-carboxamide
CID 114300930
N-(1-chloropropan-2-yl)-2,4-dimethyl-1,3-oxazole-5-carboxamide
CID 114299594
N-(5-chloropentan-2-yl)-2,4-dimethyl-1,3-oxazole-5-carboxamide
CID 114305863
N-(2-chloropropyl)-2,4-dimethyl-1,3-oxazole-5-carboxamide
CID 114296555
(2S)-2-[(2,4-dimethyl-1,3-oxazole-5-carbonyl)amino]-3,3-dimethylbutanoic acid
CID 81362291
2-bromo-1-(2,4-dimethyl-1,3-oxazol-5-yl)ethanone;hydrobromide
CID 87942772
(2R)-2-[(2,4-dimethyl-1,3-oxazole-5-carbonyl)amino]hexanedioic acid
CID 107831662
(2S)-3-[(2,4-dimethyl-1,3-oxazole-5-carbonyl)amino]-2-hydroxypropanoic acid
CID 107833856
N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-2,4-dimethyl-1,3-oxazole-5-carboxamide
CID 103890787
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

Frequently Asked Questions

What is the IUPAC name of N-(1-bromobutan-2-yl)-2,4-dimethyl-1,3-oxazole-5-carboxamide?
The IUPAC name of N-(1-bromobutan-2-yl)-2,4-dimethyl-1,3-oxazole-5-carboxamide (CID 114307729) is N-(1-bromobutan-2-yl)-2,4-dimethyl-1,3-oxazole-5-carboxamide.
What is the SMILES notation for N-(1-bromobutan-2-yl)-2,4-dimethyl-1,3-oxazole-5-carboxamide?
The canonical SMILES for N-(1-bromobutan-2-yl)-2,4-dimethyl-1,3-oxazole-5-carboxamide is CCC(CBr)NC(=O)c1oc(C)nc1C.
What is the InChIKey of N-(1-bromobutan-2-yl)-2,4-dimethyl-1,3-oxazole-5-carboxamide?
The InChIKey is UTNLESADQFXSFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15BrN2O2/c1-4-8(5-11)13-10(14)9-6(2)12-7(3)15-9/h8H,4-5H2,1-3H3,(H,13,14).
What are the key properties of N-(1-bromobutan-2-yl)-2,4-dimethyl-1,3-oxazole-5-carboxamide?
N-(1-bromobutan-2-yl)-2,4-dimethyl-1,3-oxazole-5-carboxamide has a molecular weight of 275.15 g/mol, XLogP of 2.19, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-bromobutan-2-yl)-2,4-dimethyl-1,3-oxazole-5-carboxamide is sourced from PubChem (CID 114307729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).