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

C18H20N4O3S — CID 2621083

IUPAC2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide
SMILESCCc1nnc(NC(=O)Cc2ccc(OCc3c(C)noc3C)cc2)s1
InChIInChI=1S/C18H20N4O3S/c1-4-17-20-21-18(26-17)19-16(23)9-13-5-7-14(8-6-13)24-10-15-11(2)22-25-12(15)3/h5-8H,4,9-10H2,1-3H3,(H,19,21,23)
InChIKeyACGQRLWTIKUQKC-UHFFFAOYSA-N
MW372.45 g/mol
LogP3.47
Rot. Bonds7

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

2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide (PubChem CID 2621083) has the molecular formula C18H20N4O3S and a molecular weight of 372.45 g/mol. Its IUPAC name is 2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide
PubChem CID2621083
Molecular FormulaC18H20N4O3S
Molecular Weight372.45 g/mol
Exact Mass372.13
IUPAC Name2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide
SMILESCCc1nnc(NC(=O)Cc2ccc(OCc3c(C)noc3C)cc2)s1
InChIInChI=1S/C18H20N4O3S/c1-4-17-20-21-18(26-17)19-16(23)9-13-5-7-14(8-6-13)24-10-15-11(2)22-25-12(15)3/h5-8H,4,9-10H2,1-3H3,(H,19,21,23)
InChIKeyACGQRLWTIKUQKC-UHFFFAOYSA-N
XLogP3.47
TPSA90.14 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.45
LogP ≤ 53.47
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-ethyl-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-ethyl-1,3,4-thiadiazol-2-yl)acetamide (CID 2621083) is 2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-N-(5-ethyl-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-ethyl-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-ethyl-1,3,4-thiadiazol-2-yl)acetamide is CCc1nnc(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-ethyl-1,3,4-thiadiazol-2-yl)acetamide?
The InChIKey is ACGQRLWTIKUQKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O3S/c1-4-17-20-21-18(26-17)19-16(23)9-13-5-7-14(8-6-13)24-10-15-11(2)22-25-12(15)3/h5-8H,4,9-10H2,1-3H3,(H,19,21,23).
What are the key properties of 2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide?
2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide has a molecular weight of 372.45 g/mol, XLogP of 3.47, 7 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-ethyl-1,3,4-thiadiazol-2-yl)acetamide is sourced from PubChem (CID 2621083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).