3-(5-bromothiophen-2-yl)-N-[(2-methoxyphenyl)methyl]-5-methyl-1,2-oxazole-4-carboxamide

C17H15BrN2O3S — CID 53052765

IUPAC3-(5-bromothiophen-2-yl)-N-[(2-methoxyphenyl)methyl]-5-methyl-1,2-oxazole-4-carboxamide
SMILESCOc1ccccc1CNC(=O)c1c(-c2ccc(Br)s2)noc1C
InChIInChI=1S/C17H15BrN2O3S/c1-10-15(16(20-23-10)13-7-8-14(18)24-13)17(21)19-9-11-5-3-4-6-12(11)22-2/h3-8H,9H2,1-2H3,(H,19,21)
InChIKeyFHGFKJWDXSJDPS-UHFFFAOYSA-N
MW407.29 g/mol
LogP4.41
Rot. Bonds5

About 3-(5-bromothiophen-2-yl)-N-[(2-methoxyphenyl)methyl]-5-methyl-1,2-oxazole-4-carboxamide

3-(5-bromothiophen-2-yl)-N-[(2-methoxyphenyl)methyl]-5-methyl-1,2-oxazole-4-carboxamide (PubChem CID 53052765) has the molecular formula C17H15BrN2O3S and a molecular weight of 407.29 g/mol. Its IUPAC name is 3-(5-bromothiophen-2-yl)-N-[(2-methoxyphenyl)methyl]-5-methyl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound Name3-(5-bromothiophen-2-yl)-N-[(2-methoxyphenyl)methyl]-5-methyl-1,2-oxazole-4-carboxamide
PubChem CID53052765
Molecular FormulaC17H15BrN2O3S
Molecular Weight407.29 g/mol
Exact Mass406.00
IUPAC Name3-(5-bromothiophen-2-yl)-N-[(2-methoxyphenyl)methyl]-5-methyl-1,2-oxazole-4-carboxamide
SMILESCOc1ccccc1CNC(=O)c1c(-c2ccc(Br)s2)noc1C
InChIInChI=1S/C17H15BrN2O3S/c1-10-15(16(20-23-10)13-7-8-14(18)24-13)17(21)19-9-11-5-3-4-6-12(11)22-2/h3-8H,9H2,1-2H3,(H,19,21)
InChIKeyFHGFKJWDXSJDPS-UHFFFAOYSA-N
XLogP4.41
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.29
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(3-bromophenyl)-N-[(2-methoxyphenyl)methyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 50805427
3-(furan-2-yl)-N-[(2-methoxyphenyl)methyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 110682416
3-(2,4-difluorophenyl)-N-[(2-methoxyphenyl)methyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 50805633
3-(5-bromothiophen-2-yl)-N-[(2S)-butan-2-yl]-5-methyl-1,2-oxazole-4-carboxamide
CID 95063974
3-(5-bromothiophen-2-yl)-N-butan-2-yl-5-methyl-1,2-oxazole-4-carboxamide
CID 53052713
3-(5-bromothiophen-2-yl)-5-methyl-N-(2-morpholin-4-ylethyl)-1,2-oxazole-4-carboxamide
CID 53052780
3-(2-chlorophenyl)-N-[(2,4-dimethoxyphenyl)methyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 50805759
N-[(2-bromophenyl)methyl]-3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 46232351
N-[(2-ethoxyphenyl)methyl]-5-methyl-3-pyridin-3-yl-1,2-oxazole-4-carboxamide
CID 53001859
N-[2-(5-bromothiophen-2-yl)ethyl]-2-(2-methoxyphenyl)acetamide
CID 18133750
1-(3,5-dimethyl-1,2-oxazol-4-yl)-3-[(2-methoxyphenyl)methyl]urea
CID 75462467
N-[(2-methoxyphenyl)methyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
CID 51305038

Frequently Asked Questions

What is the IUPAC name of 3-(5-bromothiophen-2-yl)-N-[(2-methoxyphenyl)methyl]-5-methyl-1,2-oxazole-4-carboxamide?
The IUPAC name of 3-(5-bromothiophen-2-yl)-N-[(2-methoxyphenyl)methyl]-5-methyl-1,2-oxazole-4-carboxamide (CID 53052765) is 3-(5-bromothiophen-2-yl)-N-[(2-methoxyphenyl)methyl]-5-methyl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for 3-(5-bromothiophen-2-yl)-N-[(2-methoxyphenyl)methyl]-5-methyl-1,2-oxazole-4-carboxamide?
The canonical SMILES for 3-(5-bromothiophen-2-yl)-N-[(2-methoxyphenyl)methyl]-5-methyl-1,2-oxazole-4-carboxamide is COc1ccccc1CNC(=O)c1c(-c2ccc(Br)s2)noc1C.
What is the InChIKey of 3-(5-bromothiophen-2-yl)-N-[(2-methoxyphenyl)methyl]-5-methyl-1,2-oxazole-4-carboxamide?
The InChIKey is FHGFKJWDXSJDPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15BrN2O3S/c1-10-15(16(20-23-10)13-7-8-14(18)24-13)17(21)19-9-11-5-3-4-6-12(11)22-2/h3-8H,9H2,1-2H3,(H,19,21).
What are the key properties of 3-(5-bromothiophen-2-yl)-N-[(2-methoxyphenyl)methyl]-5-methyl-1,2-oxazole-4-carboxamide?
3-(5-bromothiophen-2-yl)-N-[(2-methoxyphenyl)methyl]-5-methyl-1,2-oxazole-4-carboxamide has a molecular weight of 407.29 g/mol, XLogP of 4.41, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-bromothiophen-2-yl)-N-[(2-methoxyphenyl)methyl]-5-methyl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 53052765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).