5-(4-bromophenyl)-N-(3-methoxypropyl)-3-methyl-1,2-oxazole-4-carboxamide

C15H17BrN2O3 — CID 110677065

IUPAC5-(4-bromophenyl)-N-(3-methoxypropyl)-3-methyl-1,2-oxazole-4-carboxamide
SMILESCOCCCNC(=O)c1c(C)noc1-c1ccc(Br)cc1
InChIInChI=1S/C15H17BrN2O3/c1-10-13(15(19)17-8-3-9-20-2)14(21-18-10)11-4-6-12(16)7-5-11/h4-7H,3,8-9H2,1-2H3,(H,17,19)
InChIKeyZWTQEPSYTBRWPT-UHFFFAOYSA-N
MW353.22 g/mol
LogP3.18
Rot. Bonds6

About 5-(4-bromophenyl)-N-(3-methoxypropyl)-3-methyl-1,2-oxazole-4-carboxamide

5-(4-bromophenyl)-N-(3-methoxypropyl)-3-methyl-1,2-oxazole-4-carboxamide (PubChem CID 110677065) has the molecular formula C15H17BrN2O3 and a molecular weight of 353.22 g/mol. Its IUPAC name is 5-(4-bromophenyl)-N-(3-methoxypropyl)-3-methyl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound Name5-(4-bromophenyl)-N-(3-methoxypropyl)-3-methyl-1,2-oxazole-4-carboxamide
PubChem CID110677065
Molecular FormulaC15H17BrN2O3
Molecular Weight353.22 g/mol
Exact Mass352.04
IUPAC Name5-(4-bromophenyl)-N-(3-methoxypropyl)-3-methyl-1,2-oxazole-4-carboxamide
SMILESCOCCCNC(=O)c1c(C)noc1-c1ccc(Br)cc1
InChIInChI=1S/C15H17BrN2O3/c1-10-13(15(19)17-8-3-9-20-2)14(21-18-10)11-4-6-12(16)7-5-11/h4-7H,3,8-9H2,1-2H3,(H,17,19)
InChIKeyZWTQEPSYTBRWPT-UHFFFAOYSA-N
XLogP3.18
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.22
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(3-methoxypropyl)-3-methyl-5-pyridin-3-yl-1,2-oxazole-4-carboxamide
CID 46096966
N-(2-ethoxyethyl)-5-(4-methoxyphenyl)-3-methyl-1,2-oxazole-4-carboxamide
CID 46096975
5-(4-bromophenyl)-3-methyl-N-(pyridin-3-ylmethyl)-1,2-oxazole-4-carboxamide
CID 110677073
5-(3,5-dimethoxyphenyl)-N-(3-ethoxypropyl)-3-methyl-1,2-oxazole-4-carboxamide
CID 46097321
5-(1,3-benzodioxol-5-yl)-N-(2-methoxyethyl)-3-methyl-1,2-oxazole-4-carboxamide
CID 46093942
3-methyl-N-(2-propoxyethyl)-5-pyridin-4-yl-1,2-oxazole-4-carboxamide
CID 46097017
N-[2-(4-aminophenyl)ethyl]-5-(4-methoxyphenyl)-3-methyl-1,2-oxazole-4-carboxamide
CID 46093958
N-(3-imidazol-1-ylpropyl)-3-methyl-5-phenyl-1,2-oxazole-4-carboxamide
CID 57383679
1-(4-bromophenyl)-N-(3-methoxypropyl)-5-methylpyrazole-4-carboxamide
CID 32651721
4-bromo-2-fluoro-N-(3-methoxypropyl)benzamide
CID 43090254
3-methyl-N-[(4-methyl-5-phenyl-1,2-oxazol-3-yl)methyl]-5-phenyl-1,2-oxazole-4-carboxamide
CID 166330669
1-(4-bromophenyl)-N-(3-methoxypropyl)-2,5-dimethylpyrrole-3-carboxamide
CID 55532311

Frequently Asked Questions

What is the IUPAC name of 5-(4-bromophenyl)-N-(3-methoxypropyl)-3-methyl-1,2-oxazole-4-carboxamide?
The IUPAC name of 5-(4-bromophenyl)-N-(3-methoxypropyl)-3-methyl-1,2-oxazole-4-carboxamide (CID 110677065) is 5-(4-bromophenyl)-N-(3-methoxypropyl)-3-methyl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for 5-(4-bromophenyl)-N-(3-methoxypropyl)-3-methyl-1,2-oxazole-4-carboxamide?
The canonical SMILES for 5-(4-bromophenyl)-N-(3-methoxypropyl)-3-methyl-1,2-oxazole-4-carboxamide is COCCCNC(=O)c1c(C)noc1-c1ccc(Br)cc1.
What is the InChIKey of 5-(4-bromophenyl)-N-(3-methoxypropyl)-3-methyl-1,2-oxazole-4-carboxamide?
The InChIKey is ZWTQEPSYTBRWPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrN2O3/c1-10-13(15(19)17-8-3-9-20-2)14(21-18-10)11-4-6-12(16)7-5-11/h4-7H,3,8-9H2,1-2H3,(H,17,19).
What are the key properties of 5-(4-bromophenyl)-N-(3-methoxypropyl)-3-methyl-1,2-oxazole-4-carboxamide?
5-(4-bromophenyl)-N-(3-methoxypropyl)-3-methyl-1,2-oxazole-4-carboxamide has a molecular weight of 353.22 g/mol, XLogP of 3.18, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-bromophenyl)-N-(3-methoxypropyl)-3-methyl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 110677065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).