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

C18H18N2O3S — CID 46093965

IUPACN-[2-(4-methoxyphenyl)ethyl]-3-methyl-5-thiophen-2-yl-1,2-oxazole-4-carboxamide
SMILESCOc1ccc(CCNC(=O)c2c(C)noc2-c2cccs2)cc1
InChIInChI=1S/C18H18N2O3S/c1-12-16(17(23-20-12)15-4-3-11-24-15)18(21)19-10-9-13-5-7-14(22-2)8-6-13/h3-8,11H,9-10H2,1-2H3,(H,19,21)
InChIKeyKNVWOEPSVCUNKT-UHFFFAOYSA-N
MW342.42 g/mol
LogP3.69
Rot. Bonds6

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

N-[2-(4-methoxyphenyl)ethyl]-3-methyl-5-thiophen-2-yl-1,2-oxazole-4-carboxamide (PubChem CID 46093965) has the molecular formula C18H18N2O3S and a molecular weight of 342.42 g/mol. Its IUPAC name is N-[2-(4-methoxyphenyl)ethyl]-3-methyl-5-thiophen-2-yl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-(4-methoxyphenyl)ethyl]-3-methyl-5-thiophen-2-yl-1,2-oxazole-4-carboxamide
PubChem CID46093965
Molecular FormulaC18H18N2O3S
Molecular Weight342.42 g/mol
Exact Mass342.10
IUPAC NameN-[2-(4-methoxyphenyl)ethyl]-3-methyl-5-thiophen-2-yl-1,2-oxazole-4-carboxamide
SMILESCOc1ccc(CCNC(=O)c2c(C)noc2-c2cccs2)cc1
InChIInChI=1S/C18H18N2O3S/c1-12-16(17(23-20-12)15-4-3-11-24-15)18(21)19-10-9-13-5-7-14(22-2)8-6-13/h3-8,11H,9-10H2,1-2H3,(H,19,21)
InChIKeyKNVWOEPSVCUNKT-UHFFFAOYSA-N
XLogP3.69
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.42
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-methyl-N-(3-phenylpropyl)-5-thiophen-2-yl-1,2-oxazole-4-carboxamide
CID 46096812
N-[2-(4-aminophenyl)ethyl]-5-(4-methoxyphenyl)-3-methyl-1,2-oxazole-4-carboxamide
CID 46093958
5-(2-methoxyphenyl)-3-methyl-N-(2-pyridin-4-ylethyl)-1,2-oxazole-4-carboxamide
CID 46097081
3-methyl-N-(4-phenylbutan-2-yl)-5-thiophen-2-yl-1,2-oxazole-4-carboxamide
CID 46093882
N-[2-(4-methoxyphenyl)ethyl]-2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetamide
CID 25475926
N-[3-(dimethylamino)-2,2-dimethylpropyl]-3-methyl-5-thiophen-2-yl-1,2-oxazole-4-carboxamide
CID 46097006
1-[2-(4-methoxyphenyl)ethyl]-3-[2-(5-methyl-3-thiophen-2-ylpyrazol-1-yl)ethyl]urea
CID 121169901
N-(2-ethoxyethyl)-5-(4-methoxyphenyl)-3-methyl-1,2-oxazole-4-carboxamide
CID 46096975
N-[(4-methoxyphenyl)methyl]-3-methyl-5-pyridin-3-yl-1,2-oxazole-4-carboxamide
CID 46093945
5-(2-chlorophenyl)-N-[2-(4-fluorophenyl)ethyl]-3-methyl-1,2-oxazole-4-carboxamide
CID 46097141
N-[2-(4-methoxyphenyl)ethyl]-1-phenyl-3-thiophen-2-ylpyrazole-4-carboxamide
CID 10092573
3-methyl-N-(1,2,2,6,6-pentamethylpiperidin-4-yl)-5-thiophen-2-yl-1,2-oxazole-4-carboxamide
CID 46097183

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methoxyphenyl)ethyl]-3-methyl-5-thiophen-2-yl-1,2-oxazole-4-carboxamide?
The IUPAC name of N-[2-(4-methoxyphenyl)ethyl]-3-methyl-5-thiophen-2-yl-1,2-oxazole-4-carboxamide (CID 46093965) is N-[2-(4-methoxyphenyl)ethyl]-3-methyl-5-thiophen-2-yl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for N-[2-(4-methoxyphenyl)ethyl]-3-methyl-5-thiophen-2-yl-1,2-oxazole-4-carboxamide?
The canonical SMILES for N-[2-(4-methoxyphenyl)ethyl]-3-methyl-5-thiophen-2-yl-1,2-oxazole-4-carboxamide is COc1ccc(CCNC(=O)c2c(C)noc2-c2cccs2)cc1.
What is the InChIKey of N-[2-(4-methoxyphenyl)ethyl]-3-methyl-5-thiophen-2-yl-1,2-oxazole-4-carboxamide?
The InChIKey is KNVWOEPSVCUNKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O3S/c1-12-16(17(23-20-12)15-4-3-11-24-15)18(21)19-10-9-13-5-7-14(22-2)8-6-13/h3-8,11H,9-10H2,1-2H3,(H,19,21).
What are the key properties of N-[2-(4-methoxyphenyl)ethyl]-3-methyl-5-thiophen-2-yl-1,2-oxazole-4-carboxamide?
N-[2-(4-methoxyphenyl)ethyl]-3-methyl-5-thiophen-2-yl-1,2-oxazole-4-carboxamide has a molecular weight of 342.42 g/mol, XLogP of 3.69, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methoxyphenyl)ethyl]-3-methyl-5-thiophen-2-yl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 46093965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).