5-[(3-acetylphenoxy)methyl]-N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-1,2-oxazole-3-carboxamide

C19H19N3O4S — CID 24791320

IUPAC5-[(3-acetylphenoxy)methyl]-N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-1,2-oxazole-3-carboxamide
SMILESCC(=O)c1cccc(OCc2cc(C(=O)NCc3nc(C)c(C)s3)no2)c1
InChIInChI=1S/C19H19N3O4S/c1-11-13(3)27-18(21-11)9-20-19(24)17-8-16(26-22-17)10-25-15-6-4-5-14(7-15)12(2)23/h4-8H,9-10H2,1-3H3,(H,20,24)
InChIKeyNVSWOKGFHCMIGW-UHFFFAOYSA-N
MW385.45 g/mol
LogP3.46
Rot. Bonds7

About 5-[(3-acetylphenoxy)methyl]-N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-1,2-oxazole-3-carboxamide

5-[(3-acetylphenoxy)methyl]-N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-1,2-oxazole-3-carboxamide (PubChem CID 24791320) has the molecular formula C19H19N3O4S and a molecular weight of 385.45 g/mol. Its IUPAC name is 5-[(3-acetylphenoxy)methyl]-N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-[(3-acetylphenoxy)methyl]-N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-1,2-oxazole-3-carboxamide
PubChem CID24791320
Molecular FormulaC19H19N3O4S
Molecular Weight385.45 g/mol
Exact Mass385.11
IUPAC Name5-[(3-acetylphenoxy)methyl]-N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-1,2-oxazole-3-carboxamide
SMILESCC(=O)c1cccc(OCc2cc(C(=O)NCc3nc(C)c(C)s3)no2)c1
InChIInChI=1S/C19H19N3O4S/c1-11-13(3)27-18(21-11)9-20-19(24)17-8-16(26-22-17)10-25-15-6-4-5-14(7-15)12(2)23/h4-8H,9-10H2,1-3H3,(H,20,24)
InChIKeyNVSWOKGFHCMIGW-UHFFFAOYSA-N
XLogP3.46
TPSA94.32 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.45
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[(3-acetylphenoxy)methyl]-N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-[(3-acetylphenoxy)methyl]-N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-1,2-oxazole-3-carboxamide (CID 24791320) is 5-[(3-acetylphenoxy)methyl]-N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-[(3-acetylphenoxy)methyl]-N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-[(3-acetylphenoxy)methyl]-N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-1,2-oxazole-3-carboxamide is CC(=O)c1cccc(OCc2cc(C(=O)NCc3nc(C)c(C)s3)no2)c1.
What is the InChIKey of 5-[(3-acetylphenoxy)methyl]-N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-1,2-oxazole-3-carboxamide?
The InChIKey is NVSWOKGFHCMIGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O4S/c1-11-13(3)27-18(21-11)9-20-19(24)17-8-16(26-22-17)10-25-15-6-4-5-14(7-15)12(2)23/h4-8H,9-10H2,1-3H3,(H,20,24).
What are the key properties of 5-[(3-acetylphenoxy)methyl]-N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-1,2-oxazole-3-carboxamide?
5-[(3-acetylphenoxy)methyl]-N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-1,2-oxazole-3-carboxamide has a molecular weight of 385.45 g/mol, XLogP of 3.46, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-acetylphenoxy)methyl]-N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 24791320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).