N-(4-bromo-1-methoxybutan-2-yl)-5-methyl-1,2-oxazole-4-carboxamide

C10H15BrN2O3 — CID 106155964

IUPACN-(4-bromo-1-methoxybutan-2-yl)-5-methyl-1,2-oxazole-4-carboxamide
SMILESCOCC(CCBr)NC(=O)c1cnoc1C
InChIInChI=1S/C10H15BrN2O3/c1-7-9(5-12-16-7)10(14)13-8(3-4-11)6-15-2/h5,8H,3-4,6H2,1-2H3,(H,13,14)
InChIKeyMFKLZEJYVRHDPU-UHFFFAOYSA-N
MW291.14 g/mol
LogP1.51
Rot. Bonds6

About N-(4-bromo-1-methoxybutan-2-yl)-5-methyl-1,2-oxazole-4-carboxamide

N-(4-bromo-1-methoxybutan-2-yl)-5-methyl-1,2-oxazole-4-carboxamide (PubChem CID 106155964) has the molecular formula C10H15BrN2O3 and a molecular weight of 291.14 g/mol. Its IUPAC name is N-(4-bromo-1-methoxybutan-2-yl)-5-methyl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-(4-bromo-1-methoxybutan-2-yl)-5-methyl-1,2-oxazole-4-carboxamide
PubChem CID106155964
Molecular FormulaC10H15BrN2O3
Molecular Weight291.14 g/mol
Exact Mass290.03
IUPAC NameN-(4-bromo-1-methoxybutan-2-yl)-5-methyl-1,2-oxazole-4-carboxamide
SMILESCOCC(CCBr)NC(=O)c1cnoc1C
InChIInChI=1S/C10H15BrN2O3/c1-7-9(5-12-16-7)10(14)13-8(3-4-11)6-15-2/h5,8H,3-4,6H2,1-2H3,(H,13,14)
InChIKeyMFKLZEJYVRHDPU-UHFFFAOYSA-N
XLogP1.51
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.14
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(4-bromo-1-methoxybutan-2-yl)-5-methyl-1H-pyrazole-4-carboxamide
CID 106156313
5-methyl-N-propan-2-yl-1,2-oxazole-4-carboxamide
CID 1477707
N-(4-bromo-1-methoxybutan-2-yl)-2-methylpyridine-3-carboxamide
CID 106156171
N-(4-bromo-1-methoxybutan-2-yl)-2,4-dimethylbenzamide
CID 114151279
N-(4-bromo-1-methoxybutan-2-yl)-3-fluoropyridine-4-carboxamide
CID 106155981
N-(1-chlorobutan-2-yl)-5-methyl-1,2-oxazole-4-carboxamide
CID 114294294
N-(4-bromo-1-methoxybutan-2-yl)-2-fluoro-5-methylbenzamide
CID 106156531
N-(4-bromo-1-methoxybutan-2-yl)-2,5-difluorobenzamide
CID 106156307
5-methoxy-2-[(5-methyl-1,2-oxazole-4-carbonyl)amino]-5-oxopentanoic acid
CID 82786221
N-(1-hydroxypropan-2-yl)-5-methyl-1,2-oxazole-4-carboxamide
CID 43501123
N-(4-bromo-1-methoxybutan-2-yl)-5-fluoro-2-hydroxybenzamide
CID 106156181
N-(4-bromo-1-methoxybutan-2-yl)-2,5-dimethoxybenzamide
CID 106156393

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-1-methoxybutan-2-yl)-5-methyl-1,2-oxazole-4-carboxamide?
The IUPAC name of N-(4-bromo-1-methoxybutan-2-yl)-5-methyl-1,2-oxazole-4-carboxamide (CID 106155964) is N-(4-bromo-1-methoxybutan-2-yl)-5-methyl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for N-(4-bromo-1-methoxybutan-2-yl)-5-methyl-1,2-oxazole-4-carboxamide?
The canonical SMILES for N-(4-bromo-1-methoxybutan-2-yl)-5-methyl-1,2-oxazole-4-carboxamide is COCC(CCBr)NC(=O)c1cnoc1C.
What is the InChIKey of N-(4-bromo-1-methoxybutan-2-yl)-5-methyl-1,2-oxazole-4-carboxamide?
The InChIKey is MFKLZEJYVRHDPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15BrN2O3/c1-7-9(5-12-16-7)10(14)13-8(3-4-11)6-15-2/h5,8H,3-4,6H2,1-2H3,(H,13,14).
What are the key properties of N-(4-bromo-1-methoxybutan-2-yl)-5-methyl-1,2-oxazole-4-carboxamide?
N-(4-bromo-1-methoxybutan-2-yl)-5-methyl-1,2-oxazole-4-carboxamide has a molecular weight of 291.14 g/mol, XLogP of 1.51, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-1-methoxybutan-2-yl)-5-methyl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 106155964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).