N-[1-[3-[2-[4-(oxolan-3-yloxy)phenoxy]-1,3-thiazol-5-yl]-1,2-oxazol-5-yl]ethyl]acetamide

C20H21N3O5S — CID 23648780

IUPACN-[1-[3-[2-[4-(oxolan-3-yloxy)phenoxy]-1,3-thiazol-5-yl]-1,2-oxazol-5-yl]ethyl]acetamide
SMILESCC(=O)NC(C)c1cc(-c2cnc(Oc3ccc(OC4CCOC4)cc3)s2)no1
InChIInChI=1S/C20H21N3O5S/c1-12(22-13(2)24)18-9-17(23-28-18)19-10-21-20(29-19)27-15-5-3-14(4-6-15)26-16-7-8-25-11-16/h3-6,9-10,12,16H,7-8,11H2,1-2H3,(H,22,24)
InChIKeyMQEOPZXCNUIPCL-UHFFFAOYSA-N
MW415.47 g/mol
LogP3.96
Rot. Bonds7

About N-[1-[3-[2-[4-(oxolan-3-yloxy)phenoxy]-1,3-thiazol-5-yl]-1,2-oxazol-5-yl]ethyl]acetamide

N-[1-[3-[2-[4-(oxolan-3-yloxy)phenoxy]-1,3-thiazol-5-yl]-1,2-oxazol-5-yl]ethyl]acetamide (PubChem CID 23648780) has the molecular formula C20H21N3O5S and a molecular weight of 415.47 g/mol. Its IUPAC name is N-[1-[3-[2-[4-(oxolan-3-yloxy)phenoxy]-1,3-thiazol-5-yl]-1,2-oxazol-5-yl]ethyl]acetamide.

Molecular Properties

Compound NameN-[1-[3-[2-[4-(oxolan-3-yloxy)phenoxy]-1,3-thiazol-5-yl]-1,2-oxazol-5-yl]ethyl]acetamide
PubChem CID23648780
Molecular FormulaC20H21N3O5S
Molecular Weight415.47 g/mol
Exact Mass415.12
IUPAC NameN-[1-[3-[2-[4-(oxolan-3-yloxy)phenoxy]-1,3-thiazol-5-yl]-1,2-oxazol-5-yl]ethyl]acetamide
SMILESCC(=O)NC(C)c1cc(-c2cnc(Oc3ccc(OC4CCOC4)cc3)s2)no1
InChIInChI=1S/C20H21N3O5S/c1-12(22-13(2)24)18-9-17(23-28-18)19-10-21-20(29-19)27-15-5-3-14(4-6-15)26-16-7-8-25-11-16/h3-6,9-10,12,16H,7-8,11H2,1-2H3,(H,22,24)
InChIKeyMQEOPZXCNUIPCL-UHFFFAOYSA-N
XLogP3.96
TPSA95.71 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.47
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[1-[3-[2-[4-(oxolan-3-yloxy)phenoxy]-1,3-thiazol-5-yl]-1,2-oxazol-5-yl]ethyl]acetamide?
The IUPAC name of N-[1-[3-[2-[4-(oxolan-3-yloxy)phenoxy]-1,3-thiazol-5-yl]-1,2-oxazol-5-yl]ethyl]acetamide (CID 23648780) is N-[1-[3-[2-[4-(oxolan-3-yloxy)phenoxy]-1,3-thiazol-5-yl]-1,2-oxazol-5-yl]ethyl]acetamide.
What is the SMILES notation for N-[1-[3-[2-[4-(oxolan-3-yloxy)phenoxy]-1,3-thiazol-5-yl]-1,2-oxazol-5-yl]ethyl]acetamide?
The canonical SMILES for N-[1-[3-[2-[4-(oxolan-3-yloxy)phenoxy]-1,3-thiazol-5-yl]-1,2-oxazol-5-yl]ethyl]acetamide is CC(=O)NC(C)c1cc(-c2cnc(Oc3ccc(OC4CCOC4)cc3)s2)no1.
What is the InChIKey of N-[1-[3-[2-[4-(oxolan-3-yloxy)phenoxy]-1,3-thiazol-5-yl]-1,2-oxazol-5-yl]ethyl]acetamide?
The InChIKey is MQEOPZXCNUIPCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O5S/c1-12(22-13(2)24)18-9-17(23-28-18)19-10-21-20(29-19)27-15-5-3-14(4-6-15)26-16-7-8-25-11-16/h3-6,9-10,12,16H,7-8,11H2,1-2H3,(H,22,24).
What are the key properties of N-[1-[3-[2-[4-(oxolan-3-yloxy)phenoxy]-1,3-thiazol-5-yl]-1,2-oxazol-5-yl]ethyl]acetamide?
N-[1-[3-[2-[4-(oxolan-3-yloxy)phenoxy]-1,3-thiazol-5-yl]-1,2-oxazol-5-yl]ethyl]acetamide has a molecular weight of 415.47 g/mol, XLogP of 3.96, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[3-[2-[4-(oxolan-3-yloxy)phenoxy]-1,3-thiazol-5-yl]-1,2-oxazol-5-yl]ethyl]acetamide is sourced from PubChem (CID 23648780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).