3-bromo-4-methoxy-N-(3-propan-2-yl-1,2-oxazol-5-yl)benzamide

C14H15BrN2O3 — CID 61025574

IUPAC3-bromo-4-methoxy-N-(3-propan-2-yl-1,2-oxazol-5-yl)benzamide
SMILESCOc1ccc(C(=O)Nc2cc(C(C)C)no2)cc1Br
InChIInChI=1S/C14H15BrN2O3/c1-8(2)11-7-13(20-17-11)16-14(18)9-4-5-12(19-3)10(15)6-9/h4-8H,1-3H3,(H,16,18)
InChIKeyNPWROPXFSSXYQY-UHFFFAOYSA-N
MW339.19 g/mol
LogP3.82
Rot. Bonds4

About 3-bromo-4-methoxy-N-(3-propan-2-yl-1,2-oxazol-5-yl)benzamide

3-bromo-4-methoxy-N-(3-propan-2-yl-1,2-oxazol-5-yl)benzamide (PubChem CID 61025574) has the molecular formula C14H15BrN2O3 and a molecular weight of 339.19 g/mol. Its IUPAC name is 3-bromo-4-methoxy-N-(3-propan-2-yl-1,2-oxazol-5-yl)benzamide.

Molecular Properties

Compound Name3-bromo-4-methoxy-N-(3-propan-2-yl-1,2-oxazol-5-yl)benzamide
PubChem CID61025574
Molecular FormulaC14H15BrN2O3
Molecular Weight339.19 g/mol
Exact Mass338.03
IUPAC Name3-bromo-4-methoxy-N-(3-propan-2-yl-1,2-oxazol-5-yl)benzamide
SMILESCOc1ccc(C(=O)Nc2cc(C(C)C)no2)cc1Br
InChIInChI=1S/C14H15BrN2O3/c1-8(2)11-7-13(20-17-11)16-14(18)9-4-5-12(19-3)10(15)6-9/h4-8H,1-3H3,(H,16,18)
InChIKeyNPWROPXFSSXYQY-UHFFFAOYSA-N
XLogP3.82
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.19
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-bromo-N-(1-chloropropan-2-yl)-4-methoxybenzamide
CID 114299525
3-bromo-N-(4,6-dimethylpyrimidin-2-yl)-4-methoxybenzamide
CID 802329
methyl (2S)-2-[(3-bromo-4-methoxybenzoyl)amino]propanoate
CID 47337375
3-bromo-4-methoxy-N-(2-propan-2-yloxyphenyl)benzamide
CID 17150898
3-bromo-4-methoxy-N-(1-methylcyclobutyl)benzamide
CID 115766099
2-[(3-bromo-4-methoxybenzoyl)amino]-3-methylbutanoic acid
CID 43241906
3-bromo-N-[(2R)-2-hydroxypropyl]-4-methoxybenzamide
CID 83031955
3-bromo-N-[2-[(3-bromo-4-methoxybenzoyl)amino]ethyl]-4-methoxybenzamide
CID 5120217
3-bromo-4-methoxy-N'-methylbenzohydrazide
CID 116846856
3-bromo-N-(5-bromo-2-pyridinyl)-4-methoxybenzamide
CID 23935414
N-[3-(1-hydroxyethyl)-1,2-oxazol-5-yl]-2,6-dimethoxybenzamide
CID 169451299
3-bromo-4-methoxy-N-(2-methylphenyl)benzamide
CID 798203

Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-methoxy-N-(3-propan-2-yl-1,2-oxazol-5-yl)benzamide?
The IUPAC name of 3-bromo-4-methoxy-N-(3-propan-2-yl-1,2-oxazol-5-yl)benzamide (CID 61025574) is 3-bromo-4-methoxy-N-(3-propan-2-yl-1,2-oxazol-5-yl)benzamide.
What is the SMILES notation for 3-bromo-4-methoxy-N-(3-propan-2-yl-1,2-oxazol-5-yl)benzamide?
The canonical SMILES for 3-bromo-4-methoxy-N-(3-propan-2-yl-1,2-oxazol-5-yl)benzamide is COc1ccc(C(=O)Nc2cc(C(C)C)no2)cc1Br.
What is the InChIKey of 3-bromo-4-methoxy-N-(3-propan-2-yl-1,2-oxazol-5-yl)benzamide?
The InChIKey is NPWROPXFSSXYQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrN2O3/c1-8(2)11-7-13(20-17-11)16-14(18)9-4-5-12(19-3)10(15)6-9/h4-8H,1-3H3,(H,16,18).
What are the key properties of 3-bromo-4-methoxy-N-(3-propan-2-yl-1,2-oxazol-5-yl)benzamide?
3-bromo-4-methoxy-N-(3-propan-2-yl-1,2-oxazol-5-yl)benzamide has a molecular weight of 339.19 g/mol, XLogP of 3.82, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-4-methoxy-N-(3-propan-2-yl-1,2-oxazol-5-yl)benzamide is sourced from PubChem (CID 61025574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).