N-[[5-(2,5-dimethylphenyl)-1,2-oxazol-3-yl]methyl]-N-(2-methoxyethyl)thiophene-2-carboxamide

C20H22N2O3S — CID 51070242

IUPACN-[[5-(2,5-dimethylphenyl)-1,2-oxazol-3-yl]methyl]-N-(2-methoxyethyl)thiophene-2-carboxamide
SMILESCOCCN(Cc1cc(-c2cc(C)ccc2C)on1)C(=O)c1cccs1
InChIInChI=1S/C20H22N2O3S/c1-14-6-7-15(2)17(11-14)18-12-16(21-25-18)13-22(8-9-24-3)20(23)19-5-4-10-26-19/h4-7,10-12H,8-9,13H2,1-3H3
InChIKeyPIICCORHXHGYQT-UHFFFAOYSA-N
MW370.47 g/mol
LogP4.31
Rot. Bonds7

About N-[[5-(2,5-dimethylphenyl)-1,2-oxazol-3-yl]methyl]-N-(2-methoxyethyl)thiophene-2-carboxamide

N-[[5-(2,5-dimethylphenyl)-1,2-oxazol-3-yl]methyl]-N-(2-methoxyethyl)thiophene-2-carboxamide (PubChem CID 51070242) has the molecular formula C20H22N2O3S and a molecular weight of 370.47 g/mol. Its IUPAC name is N-[[5-(2,5-dimethylphenyl)-1,2-oxazol-3-yl]methyl]-N-(2-methoxyethyl)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[[5-(2,5-dimethylphenyl)-1,2-oxazol-3-yl]methyl]-N-(2-methoxyethyl)thiophene-2-carboxamide
PubChem CID51070242
Molecular FormulaC20H22N2O3S
Molecular Weight370.47 g/mol
Exact Mass370.14
IUPAC NameN-[[5-(2,5-dimethylphenyl)-1,2-oxazol-3-yl]methyl]-N-(2-methoxyethyl)thiophene-2-carboxamide
SMILESCOCCN(Cc1cc(-c2cc(C)ccc2C)on1)C(=O)c1cccs1
InChIInChI=1S/C20H22N2O3S/c1-14-6-7-15(2)17(11-14)18-12-16(21-25-18)13-22(8-9-24-3)20(23)19-5-4-10-26-19/h4-7,10-12H,8-9,13H2,1-3H3
InChIKeyPIICCORHXHGYQT-UHFFFAOYSA-N
XLogP4.31
TPSA55.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.47
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[5-(2,5-dimethylphenyl)-1,2-oxazol-3-yl]methyl]-N-(2-methoxyethyl)thiophene-2-carboxamide?
The IUPAC name of N-[[5-(2,5-dimethylphenyl)-1,2-oxazol-3-yl]methyl]-N-(2-methoxyethyl)thiophene-2-carboxamide (CID 51070242) is N-[[5-(2,5-dimethylphenyl)-1,2-oxazol-3-yl]methyl]-N-(2-methoxyethyl)thiophene-2-carboxamide.
What is the SMILES notation for N-[[5-(2,5-dimethylphenyl)-1,2-oxazol-3-yl]methyl]-N-(2-methoxyethyl)thiophene-2-carboxamide?
The canonical SMILES for N-[[5-(2,5-dimethylphenyl)-1,2-oxazol-3-yl]methyl]-N-(2-methoxyethyl)thiophene-2-carboxamide is COCCN(Cc1cc(-c2cc(C)ccc2C)on1)C(=O)c1cccs1.
What is the InChIKey of N-[[5-(2,5-dimethylphenyl)-1,2-oxazol-3-yl]methyl]-N-(2-methoxyethyl)thiophene-2-carboxamide?
The InChIKey is PIICCORHXHGYQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O3S/c1-14-6-7-15(2)17(11-14)18-12-16(21-25-18)13-22(8-9-24-3)20(23)19-5-4-10-26-19/h4-7,10-12H,8-9,13H2,1-3H3.
What are the key properties of N-[[5-(2,5-dimethylphenyl)-1,2-oxazol-3-yl]methyl]-N-(2-methoxyethyl)thiophene-2-carboxamide?
N-[[5-(2,5-dimethylphenyl)-1,2-oxazol-3-yl]methyl]-N-(2-methoxyethyl)thiophene-2-carboxamide has a molecular weight of 370.47 g/mol, XLogP of 4.31, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(2,5-dimethylphenyl)-1,2-oxazol-3-yl]methyl]-N-(2-methoxyethyl)thiophene-2-carboxamide is sourced from PubChem (CID 51070242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).