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

C20H24N4O3S — CID 23649034

IUPACN-[1-[3-[2-[3-(2-methylpropylamino)phenoxy]-1,3-thiazol-5-yl]-1,2-oxazol-5-yl]ethyl]acetamide
SMILESCC(=O)NC(C)c1cc(-c2cnc(Oc3cccc(NCC(C)C)c3)s2)no1
InChIInChI=1S/C20H24N4O3S/c1-12(2)10-21-15-6-5-7-16(8-15)26-20-22-11-19(28-20)17-9-18(27-24-17)13(3)23-14(4)25/h5-9,11-13,21H,10H2,1-4H3,(H,23,25)
InChIKeyAZNYKGLRPFFFDD-UHFFFAOYSA-N
MW400.50 g/mol
LogP4.86
Rot. Bonds8

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

N-[1-[3-[2-[3-(2-methylpropylamino)phenoxy]-1,3-thiazol-5-yl]-1,2-oxazol-5-yl]ethyl]acetamide (PubChem CID 23649034) has the molecular formula C20H24N4O3S and a molecular weight of 400.50 g/mol. Its IUPAC name is N-[1-[3-[2-[3-(2-methylpropylamino)phenoxy]-1,3-thiazol-5-yl]-1,2-oxazol-5-yl]ethyl]acetamide.

Molecular Properties

Compound NameN-[1-[3-[2-[3-(2-methylpropylamino)phenoxy]-1,3-thiazol-5-yl]-1,2-oxazol-5-yl]ethyl]acetamide
PubChem CID23649034
Molecular FormulaC20H24N4O3S
Molecular Weight400.50 g/mol
Exact Mass400.16
IUPAC NameN-[1-[3-[2-[3-(2-methylpropylamino)phenoxy]-1,3-thiazol-5-yl]-1,2-oxazol-5-yl]ethyl]acetamide
SMILESCC(=O)NC(C)c1cc(-c2cnc(Oc3cccc(NCC(C)C)c3)s2)no1
InChIInChI=1S/C20H24N4O3S/c1-12(2)10-21-15-6-5-7-16(8-15)26-20-22-11-19(28-20)17-9-18(27-24-17)13(3)23-14(4)25/h5-9,11-13,21H,10H2,1-4H3,(H,23,25)
InChIKeyAZNYKGLRPFFFDD-UHFFFAOYSA-N
XLogP4.86
TPSA89.28 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.50
LogP ≤ 54.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-[1-[3-[2-[3-(2-methylpropylamino)phenoxy]-1,3-thiazol-5-yl]-1,2-oxazol-5-yl]ethyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[1-[3-[2-[3-(2-methylpropylamino)phenoxy]-1,3-thiazol-5-yl]-1,2-oxazol-5-yl]ethyl]acetamide?
The IUPAC name of N-[1-[3-[2-[3-(2-methylpropylamino)phenoxy]-1,3-thiazol-5-yl]-1,2-oxazol-5-yl]ethyl]acetamide (CID 23649034) is N-[1-[3-[2-[3-(2-methylpropylamino)phenoxy]-1,3-thiazol-5-yl]-1,2-oxazol-5-yl]ethyl]acetamide.
What is the SMILES notation for N-[1-[3-[2-[3-(2-methylpropylamino)phenoxy]-1,3-thiazol-5-yl]-1,2-oxazol-5-yl]ethyl]acetamide?
The canonical SMILES for N-[1-[3-[2-[3-(2-methylpropylamino)phenoxy]-1,3-thiazol-5-yl]-1,2-oxazol-5-yl]ethyl]acetamide is CC(=O)NC(C)c1cc(-c2cnc(Oc3cccc(NCC(C)C)c3)s2)no1.
What is the InChIKey of N-[1-[3-[2-[3-(2-methylpropylamino)phenoxy]-1,3-thiazol-5-yl]-1,2-oxazol-5-yl]ethyl]acetamide?
The InChIKey is AZNYKGLRPFFFDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O3S/c1-12(2)10-21-15-6-5-7-16(8-15)26-20-22-11-19(28-20)17-9-18(27-24-17)13(3)23-14(4)25/h5-9,11-13,21H,10H2,1-4H3,(H,23,25).
What are the key properties of N-[1-[3-[2-[3-(2-methylpropylamino)phenoxy]-1,3-thiazol-5-yl]-1,2-oxazol-5-yl]ethyl]acetamide?
N-[1-[3-[2-[3-(2-methylpropylamino)phenoxy]-1,3-thiazol-5-yl]-1,2-oxazol-5-yl]ethyl]acetamide has a molecular weight of 400.50 g/mol, XLogP of 4.86, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[3-[2-[3-(2-methylpropylamino)phenoxy]-1,3-thiazol-5-yl]-1,2-oxazol-5-yl]ethyl]acetamide is sourced from PubChem (CID 23649034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).