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

C21H23N3O5S — CID 23648779

IUPACN-[1-[3-[2-[4-(oxan-4-yloxy)phenoxy]-1,3-thiazol-5-yl]-1,2-oxazol-5-yl]ethyl]acetamide
SMILESCC(=O)NC(C)c1cc(-c2cnc(Oc3ccc(OC4CCOCC4)cc3)s2)no1
InChIInChI=1S/C21H23N3O5S/c1-13(23-14(2)25)19-11-18(24-29-19)20-12-22-21(30-20)28-16-5-3-15(4-6-16)27-17-7-9-26-10-8-17/h3-6,11-13,17H,7-10H2,1-2H3,(H,23,25)
InChIKeyOPXBXWLAXINSCZ-UHFFFAOYSA-N
MW429.50 g/mol
LogP4.35
Rot. Bonds7

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

N-[1-[3-[2-[4-(oxan-4-yloxy)phenoxy]-1,3-thiazol-5-yl]-1,2-oxazol-5-yl]ethyl]acetamide (PubChem CID 23648779) has the molecular formula C21H23N3O5S and a molecular weight of 429.50 g/mol. Its IUPAC name is N-[1-[3-[2-[4-(oxan-4-yloxy)phenoxy]-1,3-thiazol-5-yl]-1,2-oxazol-5-yl]ethyl]acetamide.

Molecular Properties

Compound NameN-[1-[3-[2-[4-(oxan-4-yloxy)phenoxy]-1,3-thiazol-5-yl]-1,2-oxazol-5-yl]ethyl]acetamide
PubChem CID23648779
Molecular FormulaC21H23N3O5S
Molecular Weight429.50 g/mol
Exact Mass429.14
IUPAC NameN-[1-[3-[2-[4-(oxan-4-yloxy)phenoxy]-1,3-thiazol-5-yl]-1,2-oxazol-5-yl]ethyl]acetamide
SMILESCC(=O)NC(C)c1cc(-c2cnc(Oc3ccc(OC4CCOCC4)cc3)s2)no1
InChIInChI=1S/C21H23N3O5S/c1-13(23-14(2)25)19-11-18(24-29-19)20-12-22-21(30-20)28-16-5-3-15(4-6-16)27-17-7-9-26-10-8-17/h3-6,11-13,17H,7-10H2,1-2H3,(H,23,25)
InChIKeyOPXBXWLAXINSCZ-UHFFFAOYSA-N
XLogP4.35
TPSA95.71 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.50
LogP ≤ 54.35
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-(oxan-4-yloxy)phenoxy]-1,3-thiazol-5-yl]-1,2-oxazol-5-yl]ethyl]acetamide?
The IUPAC name of N-[1-[3-[2-[4-(oxan-4-yloxy)phenoxy]-1,3-thiazol-5-yl]-1,2-oxazol-5-yl]ethyl]acetamide (CID 23648779) is N-[1-[3-[2-[4-(oxan-4-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-(oxan-4-yloxy)phenoxy]-1,3-thiazol-5-yl]-1,2-oxazol-5-yl]ethyl]acetamide?
The canonical SMILES for N-[1-[3-[2-[4-(oxan-4-yloxy)phenoxy]-1,3-thiazol-5-yl]-1,2-oxazol-5-yl]ethyl]acetamide is CC(=O)NC(C)c1cc(-c2cnc(Oc3ccc(OC4CCOCC4)cc3)s2)no1.
What is the InChIKey of N-[1-[3-[2-[4-(oxan-4-yloxy)phenoxy]-1,3-thiazol-5-yl]-1,2-oxazol-5-yl]ethyl]acetamide?
The InChIKey is OPXBXWLAXINSCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O5S/c1-13(23-14(2)25)19-11-18(24-29-19)20-12-22-21(30-20)28-16-5-3-15(4-6-16)27-17-7-9-26-10-8-17/h3-6,11-13,17H,7-10H2,1-2H3,(H,23,25).
What are the key properties of N-[1-[3-[2-[4-(oxan-4-yloxy)phenoxy]-1,3-thiazol-5-yl]-1,2-oxazol-5-yl]ethyl]acetamide?
N-[1-[3-[2-[4-(oxan-4-yloxy)phenoxy]-1,3-thiazol-5-yl]-1,2-oxazol-5-yl]ethyl]acetamide has a molecular weight of 429.50 g/mol, XLogP of 4.35, 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-(oxan-4-yloxy)phenoxy]-1,3-thiazol-5-yl]-1,2-oxazol-5-yl]ethyl]acetamide is sourced from PubChem (CID 23648779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).