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

C17H18N4O3S — CID 2570893

IUPAC2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide
SMILESCc1nnc(NC(=O)Cc2ccc(OCc3c(C)noc3C)cc2)s1
InChIInChI=1S/C17H18N4O3S/c1-10-15(11(2)24-21-10)9-23-14-6-4-13(5-7-14)8-16(22)18-17-20-19-12(3)25-17/h4-7H,8-9H2,1-3H3,(H,18,20,22)
InChIKeyVKTSHQNMUZHTGK-UHFFFAOYSA-N
MW358.42 g/mol
LogP3.21
Rot. Bonds6

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

2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide (PubChem CID 2570893) has the molecular formula C17H18N4O3S and a molecular weight of 358.42 g/mol. Its IUPAC name is 2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide
PubChem CID2570893
Molecular FormulaC17H18N4O3S
Molecular Weight358.42 g/mol
Exact Mass358.11
IUPAC Name2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide
SMILESCc1nnc(NC(=O)Cc2ccc(OCc3c(C)noc3C)cc2)s1
InChIInChI=1S/C17H18N4O3S/c1-10-15(11(2)24-21-10)9-23-14-6-4-13(5-7-14)8-16(22)18-17-20-19-12(3)25-17/h4-7H,8-9H2,1-3H3,(H,18,20,22)
InChIKeyVKTSHQNMUZHTGK-UHFFFAOYSA-N
XLogP3.21
TPSA90.14 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.42
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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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-1,3,4-thiadiazol-2-yl)acetamide?
The IUPAC name of 2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide (CID 2570893) is 2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide.
What is the SMILES notation for 2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide?
The canonical SMILES for 2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide is Cc1nnc(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-1,3,4-thiadiazol-2-yl)acetamide?
The InChIKey is VKTSHQNMUZHTGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O3S/c1-10-15(11(2)24-21-10)9-23-14-6-4-13(5-7-14)8-16(22)18-17-20-19-12(3)25-17/h4-7H,8-9H2,1-3H3,(H,18,20,22).
What are the key properties of 2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide?
2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide has a molecular weight of 358.42 g/mol, XLogP of 3.21, 6 rotatable bonds, 1 hydrogen bond donors, and 7 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-1,3,4-thiadiazol-2-yl)acetamide is sourced from PubChem (CID 2570893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).