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

C20H23N3O3S — CID 24793863

IUPAC5-[(3,4-dimethylphenoxy)methyl]-N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-1,2-oxazole-3-carboxamide
SMILESCc1nc(C(C)NC(=O)c2cc(COc3ccc(C)c(C)c3)on2)c(C)s1
InChIInChI=1S/C20H23N3O3S/c1-11-6-7-16(8-12(11)2)25-10-17-9-18(23-26-17)20(24)21-13(3)19-14(4)27-15(5)22-19/h6-9,13H,10H2,1-5H3,(H,21,24)
InChIKeyPTRLPPZZWVWZRP-UHFFFAOYSA-N
MW385.49 g/mol
LogP4.43
Rot. Bonds6

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

5-[(3,4-dimethylphenoxy)methyl]-N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-1,2-oxazole-3-carboxamide (PubChem CID 24793863) has the molecular formula C20H23N3O3S and a molecular weight of 385.49 g/mol. Its IUPAC name is 5-[(3,4-dimethylphenoxy)methyl]-N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-[(3,4-dimethylphenoxy)methyl]-N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-1,2-oxazole-3-carboxamide
PubChem CID24793863
Molecular FormulaC20H23N3O3S
Molecular Weight385.49 g/mol
Exact Mass385.15
IUPAC Name5-[(3,4-dimethylphenoxy)methyl]-N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-1,2-oxazole-3-carboxamide
SMILESCc1nc(C(C)NC(=O)c2cc(COc3ccc(C)c(C)c3)on2)c(C)s1
InChIInChI=1S/C20H23N3O3S/c1-11-6-7-16(8-12(11)2)25-10-17-9-18(23-26-17)20(24)21-13(3)19-14(4)27-15(5)22-19/h6-9,13H,10H2,1-5H3,(H,21,24)
InChIKeyPTRLPPZZWVWZRP-UHFFFAOYSA-N
XLogP4.43
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.49
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5-[(3,4-dimethylphenoxy)methyl]-N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-1,2-oxazole-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[(3,4-dimethylphenoxy)methyl]-N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-[(3,4-dimethylphenoxy)methyl]-N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-1,2-oxazole-3-carboxamide (CID 24793863) is 5-[(3,4-dimethylphenoxy)methyl]-N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-[(3,4-dimethylphenoxy)methyl]-N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-[(3,4-dimethylphenoxy)methyl]-N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-1,2-oxazole-3-carboxamide is Cc1nc(C(C)NC(=O)c2cc(COc3ccc(C)c(C)c3)on2)c(C)s1.
What is the InChIKey of 5-[(3,4-dimethylphenoxy)methyl]-N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-1,2-oxazole-3-carboxamide?
The InChIKey is PTRLPPZZWVWZRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O3S/c1-11-6-7-16(8-12(11)2)25-10-17-9-18(23-26-17)20(24)21-13(3)19-14(4)27-15(5)22-19/h6-9,13H,10H2,1-5H3,(H,21,24).
What are the key properties of 5-[(3,4-dimethylphenoxy)methyl]-N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-1,2-oxazole-3-carboxamide?
5-[(3,4-dimethylphenoxy)methyl]-N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-1,2-oxazole-3-carboxamide has a molecular weight of 385.49 g/mol, XLogP of 4.43, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3,4-dimethylphenoxy)methyl]-N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 24793863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).