N-(2-methoxyethyl)-N-methyl-3-(2-thiophen-2-yl-1,3-oxazol-4-yl)-1,2-benzoxazole-5-carboxamide

C19H17N3O4S — CID 97407377

IUPACN-(2-methoxyethyl)-N-methyl-3-(2-thiophen-2-yl-1,3-oxazol-4-yl)-1,2-benzoxazole-5-carboxamide
SMILESCOCCN(C)C(=O)c1ccc2onc(-c3coc(-c4cccs4)n3)c2c1
InChIInChI=1S/C19H17N3O4S/c1-22(7-8-24-2)19(23)12-5-6-15-13(10-12)17(21-26-15)14-11-25-18(20-14)16-4-3-9-27-16/h3-6,9-11H,7-8H2,1-2H3
InChIKeyPAERUEJYJDNTMY-UHFFFAOYSA-N
MW383.43 g/mol
LogP3.93
Rot. Bonds6

About N-(2-methoxyethyl)-N-methyl-3-(2-thiophen-2-yl-1,3-oxazol-4-yl)-1,2-benzoxazole-5-carboxamide

N-(2-methoxyethyl)-N-methyl-3-(2-thiophen-2-yl-1,3-oxazol-4-yl)-1,2-benzoxazole-5-carboxamide (PubChem CID 97407377) has the molecular formula C19H17N3O4S and a molecular weight of 383.43 g/mol. Its IUPAC name is N-(2-methoxyethyl)-N-methyl-3-(2-thiophen-2-yl-1,3-oxazol-4-yl)-1,2-benzoxazole-5-carboxamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-N-methyl-3-(2-thiophen-2-yl-1,3-oxazol-4-yl)-1,2-benzoxazole-5-carboxamide
PubChem CID97407377
Molecular FormulaC19H17N3O4S
Molecular Weight383.43 g/mol
Exact Mass383.09
IUPAC NameN-(2-methoxyethyl)-N-methyl-3-(2-thiophen-2-yl-1,3-oxazol-4-yl)-1,2-benzoxazole-5-carboxamide
SMILESCOCCN(C)C(=O)c1ccc2onc(-c3coc(-c4cccs4)n3)c2c1
InChIInChI=1S/C19H17N3O4S/c1-22(7-8-24-2)19(23)12-5-6-15-13(10-12)17(21-26-15)14-11-25-18(20-14)16-4-3-9-27-16/h3-6,9-11H,7-8H2,1-2H3
InChIKeyPAERUEJYJDNTMY-UHFFFAOYSA-N
XLogP3.93
TPSA81.60 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.43
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

N-[2-(dimethylamino)ethyl]-3-(2-methyl-1,3-oxazol-4-yl)-1,2-benzoxazole-5-carboxamide
CID 97407378
N-(2-methoxyethyl)-N-methyl-3-(2-methyl-1,3-oxazol-4-yl)-1,2-benzoxazole-5-carboxamide
CID 97446393
3-(2-ethyl-1,3-oxazol-4-yl)-N-(2-methoxyethyl)-N-methyl-1,2-benzoxazole-5-carboxamide
CID 97446405
3-(2-methyl-1,3-oxazol-4-yl)-N-(2-morpholin-4-ylethyl)-1,2-benzoxazole-5-carboxamide
CID 97526234
N-[2-(dimethylamino)ethyl]-3-(2-ethyl-1,3-oxazol-4-yl)-1,2-benzoxazole-5-carboxamide
CID 97526244
2-(5-(2-methyl-2,3-dihydrobenzofuran-5-yl)isoxazol-3-yl)-N-((5-(thiophen-2-yl)isoxazol-3-yl)methyl)acetamide
CID 44044979
[3-[2-(4-Fluorophenyl)-1,3-oxazol-4-yl]-1,2-benzoxazol-5-yl]-(1,2-oxazolidin-2-yl)methanone
CID 97361849
N-cyclopropyl-3-(2-phenyl-1,3-oxazol-4-yl)-1,2-benzoxazole-5-carboxamide
CID 97407368
N-[2-(dimethylamino)-2-oxoethyl]-3-(2-phenyl-1,3-oxazol-4-yl)-1,2-benzoxazole-5-carboxamide
CID 97526198
3-(2-cyclopropyl-1,3-oxazol-4-yl)-N-[2-(dimethylamino)ethyl]-1,2-benzoxazole-5-carboxamide
CID 97526207
[3-(2-Methyl-1,3-oxazol-4-yl)-1,2-benzoxazol-5-yl]-pyrrolidin-1-ylmethanone
CID 97526238
N-cyclopentyl-3-(2-methyl-1,3-oxazol-4-yl)-1,2-benzoxazole-5-carboxamide
CID 134075411

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-N-methyl-3-(2-thiophen-2-yl-1,3-oxazol-4-yl)-1,2-benzoxazole-5-carboxamide?
The IUPAC name of N-(2-methoxyethyl)-N-methyl-3-(2-thiophen-2-yl-1,3-oxazol-4-yl)-1,2-benzoxazole-5-carboxamide (CID 97407377) is N-(2-methoxyethyl)-N-methyl-3-(2-thiophen-2-yl-1,3-oxazol-4-yl)-1,2-benzoxazole-5-carboxamide.
What is the SMILES notation for N-(2-methoxyethyl)-N-methyl-3-(2-thiophen-2-yl-1,3-oxazol-4-yl)-1,2-benzoxazole-5-carboxamide?
The canonical SMILES for N-(2-methoxyethyl)-N-methyl-3-(2-thiophen-2-yl-1,3-oxazol-4-yl)-1,2-benzoxazole-5-carboxamide is COCCN(C)C(=O)c1ccc2onc(-c3coc(-c4cccs4)n3)c2c1.
What is the InChIKey of N-(2-methoxyethyl)-N-methyl-3-(2-thiophen-2-yl-1,3-oxazol-4-yl)-1,2-benzoxazole-5-carboxamide?
The InChIKey is PAERUEJYJDNTMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O4S/c1-22(7-8-24-2)19(23)12-5-6-15-13(10-12)17(21-26-15)14-11-25-18(20-14)16-4-3-9-27-16/h3-6,9-11H,7-8H2,1-2H3.
What are the key properties of N-(2-methoxyethyl)-N-methyl-3-(2-thiophen-2-yl-1,3-oxazol-4-yl)-1,2-benzoxazole-5-carboxamide?
N-(2-methoxyethyl)-N-methyl-3-(2-thiophen-2-yl-1,3-oxazol-4-yl)-1,2-benzoxazole-5-carboxamide has a molecular weight of 383.43 g/mol, XLogP of 3.93, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-N-methyl-3-(2-thiophen-2-yl-1,3-oxazol-4-yl)-1,2-benzoxazole-5-carboxamide is sourced from PubChem (CID 97407377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).