2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-N-(5-methyl-1,3-thiazol-2-yl)acetamide

C18H19N3O3S — CID 4785182

IUPAC2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-N-(5-methyl-1,3-thiazol-2-yl)acetamide
SMILESCc1cnc(NC(=O)Cc2ccc(OCc3c(C)noc3C)cc2)s1
InChIInChI=1S/C18H19N3O3S/c1-11-9-19-18(25-11)20-17(22)8-14-4-6-15(7-5-14)23-10-16-12(2)21-24-13(16)3/h4-7,9H,8,10H2,1-3H3,(H,19,20,22)
InChIKeyNOWIQRUGALMLPB-UHFFFAOYSA-N
MW357.44 g/mol
LogP3.82
Rot. Bonds6

About 2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-N-(5-methyl-1,3-thiazol-2-yl)acetamide

2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-N-(5-methyl-1,3-thiazol-2-yl)acetamide (PubChem CID 4785182) has the molecular formula C18H19N3O3S and a molecular weight of 357.44 g/mol. Its IUPAC name is 2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-N-(5-methyl-1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-N-(5-methyl-1,3-thiazol-2-yl)acetamide
PubChem CID4785182
Molecular FormulaC18H19N3O3S
Molecular Weight357.44 g/mol
Exact Mass357.11
IUPAC Name2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-N-(5-methyl-1,3-thiazol-2-yl)acetamide
SMILESCc1cnc(NC(=O)Cc2ccc(OCc3c(C)noc3C)cc2)s1
InChIInChI=1S/C18H19N3O3S/c1-11-9-19-18(25-11)20-17(22)8-14-4-6-15(7-5-14)23-10-16-12(2)21-24-13(16)3/h4-7,9H,8,10H2,1-3H3,(H,19,20,22)
InChIKeyNOWIQRUGALMLPB-UHFFFAOYSA-N
XLogP3.82
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.44
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-N-(5-methyl-1,3-thiazol-2-yl)acetamide?
The IUPAC name of 2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-N-(5-methyl-1,3-thiazol-2-yl)acetamide (CID 4785182) is 2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-N-(5-methyl-1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for 2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-N-(5-methyl-1,3-thiazol-2-yl)acetamide?
The canonical SMILES for 2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-N-(5-methyl-1,3-thiazol-2-yl)acetamide is Cc1cnc(NC(=O)Cc2ccc(OCc3c(C)noc3C)cc2)s1.
What is the InChIKey of 2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-N-(5-methyl-1,3-thiazol-2-yl)acetamide?
The InChIKey is NOWIQRUGALMLPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O3S/c1-11-9-19-18(25-11)20-17(22)8-14-4-6-15(7-5-14)23-10-16-12(2)21-24-13(16)3/h4-7,9H,8,10H2,1-3H3,(H,19,20,22).
What are the key properties of 2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-N-(5-methyl-1,3-thiazol-2-yl)acetamide?
2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-N-(5-methyl-1,3-thiazol-2-yl)acetamide has a molecular weight of 357.44 g/mol, XLogP of 3.82, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-N-(5-methyl-1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 4785182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).