2-bromo-6-methoxy-N-[3-(3-methylhexan-3-yl)-1,2-oxazol-5-yl]benzamide

C18H23BrN2O3 — CID 19911877

IUPAC2-bromo-6-methoxy-N-[3-(3-methylhexan-3-yl)-1,2-oxazol-5-yl]benzamide
SMILESCCCC(C)(CC)c1cc(NC(=O)c2c(Br)cccc2OC)on1
InChIInChI=1S/C18H23BrN2O3/c1-5-10-18(3,6-2)14-11-15(24-21-14)20-17(22)16-12(19)8-7-9-13(16)23-4/h7-9,11H,5-6,10H2,1-4H3,(H,20,22)
InChIKeyYAXXOZKQHIZVRU-UHFFFAOYSA-N
MW395.30 g/mol
LogP5.17
Rot. Bonds7

About 2-bromo-6-methoxy-N-[3-(3-methylhexan-3-yl)-1,2-oxazol-5-yl]benzamide

2-bromo-6-methoxy-N-[3-(3-methylhexan-3-yl)-1,2-oxazol-5-yl]benzamide (PubChem CID 19911877) has the molecular formula C18H23BrN2O3 and a molecular weight of 395.30 g/mol. Its IUPAC name is 2-bromo-6-methoxy-N-[3-(3-methylhexan-3-yl)-1,2-oxazol-5-yl]benzamide.

Molecular Properties

Compound Name2-bromo-6-methoxy-N-[3-(3-methylhexan-3-yl)-1,2-oxazol-5-yl]benzamide
PubChem CID19911877
Molecular FormulaC18H23BrN2O3
Molecular Weight395.30 g/mol
Exact Mass394.09
IUPAC Name2-bromo-6-methoxy-N-[3-(3-methylhexan-3-yl)-1,2-oxazol-5-yl]benzamide
SMILESCCCC(C)(CC)c1cc(NC(=O)c2c(Br)cccc2OC)on1
InChIInChI=1S/C18H23BrN2O3/c1-5-10-18(3,6-2)14-11-15(24-21-14)20-17(22)16-12(19)8-7-9-13(16)23-4/h7-9,11H,5-6,10H2,1-4H3,(H,20,22)
InChIKeyYAXXOZKQHIZVRU-UHFFFAOYSA-N
XLogP5.17
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.30
LogP ≤ 55.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(3-ethyloctan-3-yl)-1,2-oxazol-5-yl]-2,6-dimethoxybenzamide
CID 19911930
N-[3-(7-chloro-3-ethylheptan-3-yl)-1,2-oxazol-5-yl]-2,6-dimethoxybenzamide
CID 19911973
2,6-dimethoxy-N-[3-[3-(methoxymethyl)pentan-3-yl]-1,2-oxazol-5-yl]benzamide
CID 13234299
2,6-dimethoxy-N-[3-(2-methylbutan-2-yl)-1,2-oxazol-5-yl]benzenecarbothioamide
CID 19912040
2,6-dimethoxy-N-[5-(3-methylpentan-3-yl)-1,2-oxazol-3-yl]benzamide
CID 13239379
2-bromo-6-methoxy-N-propylbenzamide
CID 171934574
N-[3-(1-hydroxyethyl)-1,2-oxazol-5-yl]-2,6-dimethoxybenzamide
CID 169451299
2,6-dimethoxy-N-[3-[(3R)-3-methylpentyl]-1,2-oxazol-5-yl]benzamide
CID 134522536
N-[3-(4-chlorophenyl)-1,2-oxazol-5-yl]-2,6-dimethoxybenzamide
CID 112503065
N-[5-(3-ethyloctan-3-yl)-1,2-oxazol-3-yl]-2,6-dimethoxybenzamide
CID 19912004
3-(5-tert-butyl-1,2-oxazol-3-yl)-1,1-dimethylurea;2,6-dimethoxy-N-[3-(3-methylpentan-3-yl)-1,2-oxazol-5-yl]benzamide;1,1-dimethyl-3-(4-propan-2-ylphenyl)urea;2,6-dinitro-4-propan-2-yl-N,N-dipropylaniline
CID 173348386
2,6-dimethyl-N-(3-methyl-1,2-oxazol-5-yl)benzamide
CID 3076186

Frequently Asked Questions

What is the IUPAC name of 2-bromo-6-methoxy-N-[3-(3-methylhexan-3-yl)-1,2-oxazol-5-yl]benzamide?
The IUPAC name of 2-bromo-6-methoxy-N-[3-(3-methylhexan-3-yl)-1,2-oxazol-5-yl]benzamide (CID 19911877) is 2-bromo-6-methoxy-N-[3-(3-methylhexan-3-yl)-1,2-oxazol-5-yl]benzamide.
What is the SMILES notation for 2-bromo-6-methoxy-N-[3-(3-methylhexan-3-yl)-1,2-oxazol-5-yl]benzamide?
The canonical SMILES for 2-bromo-6-methoxy-N-[3-(3-methylhexan-3-yl)-1,2-oxazol-5-yl]benzamide is CCCC(C)(CC)c1cc(NC(=O)c2c(Br)cccc2OC)on1.
What is the InChIKey of 2-bromo-6-methoxy-N-[3-(3-methylhexan-3-yl)-1,2-oxazol-5-yl]benzamide?
The InChIKey is YAXXOZKQHIZVRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23BrN2O3/c1-5-10-18(3,6-2)14-11-15(24-21-14)20-17(22)16-12(19)8-7-9-13(16)23-4/h7-9,11H,5-6,10H2,1-4H3,(H,20,22).
What are the key properties of 2-bromo-6-methoxy-N-[3-(3-methylhexan-3-yl)-1,2-oxazol-5-yl]benzamide?
2-bromo-6-methoxy-N-[3-(3-methylhexan-3-yl)-1,2-oxazol-5-yl]benzamide has a molecular weight of 395.30 g/mol, XLogP of 5.17, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-6-methoxy-N-[3-(3-methylhexan-3-yl)-1,2-oxazol-5-yl]benzamide is sourced from PubChem (CID 19911877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).