N-[5-[(E)-2-(5-tert-butyl-1,3-oxazol-2-yl)ethenyl]-1,3-thiazol-2-yl]-2-[4-(1-pyrrolidin-1-ylethoxy)phenyl]acetamide

C26H32N4O3S — CID 87884762

IUPACN-[5-[(E)-2-(5-tert-butyl-1,3-oxazol-2-yl)ethenyl]-1,3-thiazol-2-yl]-2-[4-(1-pyrrolidin-1-ylethoxy)phenyl]acetamide
SMILESCC(Oc1ccc(CC(=O)Nc2ncc(/C=C/c3ncc(C(C)(C)C)o3)s2)cc1)N1CCCC1
InChIInChI=1S/C26H32N4O3S/c1-18(30-13-5-6-14-30)32-20-9-7-19(8-10-20)15-23(31)29-25-28-16-21(34-25)11-12-24-27-17-22(33-24)26(2,3)4/h7-12,16-18H,5-6,13-15H2,1-4H3,(H,28,29,31)/b12-11+
InChIKeyPZEFSWYMXTXGMZ-VAWYXSNFSA-N
MW480.63 g/mol
LogP5.60
Rot. Bonds8

About N-[5-[(E)-2-(5-tert-butyl-1,3-oxazol-2-yl)ethenyl]-1,3-thiazol-2-yl]-2-[4-(1-pyrrolidin-1-ylethoxy)phenyl]acetamide

N-[5-[(E)-2-(5-tert-butyl-1,3-oxazol-2-yl)ethenyl]-1,3-thiazol-2-yl]-2-[4-(1-pyrrolidin-1-ylethoxy)phenyl]acetamide (PubChem CID 87884762) has the molecular formula C26H32N4O3S and a molecular weight of 480.63 g/mol. Its IUPAC name is N-[5-[(E)-2-(5-tert-butyl-1,3-oxazol-2-yl)ethenyl]-1,3-thiazol-2-yl]-2-[4-(1-pyrrolidin-1-ylethoxy)phenyl]acetamide.

Molecular Properties

Compound NameN-[5-[(E)-2-(5-tert-butyl-1,3-oxazol-2-yl)ethenyl]-1,3-thiazol-2-yl]-2-[4-(1-pyrrolidin-1-ylethoxy)phenyl]acetamide
PubChem CID87884762
Molecular FormulaC26H32N4O3S
Molecular Weight480.63 g/mol
Exact Mass480.22
IUPAC NameN-[5-[(E)-2-(5-tert-butyl-1,3-oxazol-2-yl)ethenyl]-1,3-thiazol-2-yl]-2-[4-(1-pyrrolidin-1-ylethoxy)phenyl]acetamide
SMILESCC(Oc1ccc(CC(=O)Nc2ncc(/C=C/c3ncc(C(C)(C)C)o3)s2)cc1)N1CCCC1
InChIInChI=1S/C26H32N4O3S/c1-18(30-13-5-6-14-30)32-20-9-7-19(8-10-20)15-23(31)29-25-28-16-21(34-25)11-12-24-27-17-22(33-24)26(2,3)4/h7-12,16-18H,5-6,13-15H2,1-4H3,(H,28,29,31)/b12-11+
InChIKeyPZEFSWYMXTXGMZ-VAWYXSNFSA-N
XLogP5.60
TPSA80.49 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500480.63
LogP ≤ 55.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[5-[(E)-2-(5-tert-butyl-1,3-oxazol-2-yl)ethenyl]-1,3-thiazol-2-yl]-2-[4-(1-pyrrolidin-1-ylethoxy)phenyl]acetamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[5-[(E)-2-(5-tert-butyl-1,3-oxazol-2-yl)ethenyl]-1,3-thiazol-2-yl]-2-[4-(1-pyrrolidin-1-ylethoxy)phenyl]acetamide?
The IUPAC name of N-[5-[(E)-2-(5-tert-butyl-1,3-oxazol-2-yl)ethenyl]-1,3-thiazol-2-yl]-2-[4-(1-pyrrolidin-1-ylethoxy)phenyl]acetamide (CID 87884762) is N-[5-[(E)-2-(5-tert-butyl-1,3-oxazol-2-yl)ethenyl]-1,3-thiazol-2-yl]-2-[4-(1-pyrrolidin-1-ylethoxy)phenyl]acetamide.
What is the SMILES notation for N-[5-[(E)-2-(5-tert-butyl-1,3-oxazol-2-yl)ethenyl]-1,3-thiazol-2-yl]-2-[4-(1-pyrrolidin-1-ylethoxy)phenyl]acetamide?
The canonical SMILES for N-[5-[(E)-2-(5-tert-butyl-1,3-oxazol-2-yl)ethenyl]-1,3-thiazol-2-yl]-2-[4-(1-pyrrolidin-1-ylethoxy)phenyl]acetamide is CC(Oc1ccc(CC(=O)Nc2ncc(/C=C/c3ncc(C(C)(C)C)o3)s2)cc1)N1CCCC1.
What is the InChIKey of N-[5-[(E)-2-(5-tert-butyl-1,3-oxazol-2-yl)ethenyl]-1,3-thiazol-2-yl]-2-[4-(1-pyrrolidin-1-ylethoxy)phenyl]acetamide?
The InChIKey is PZEFSWYMXTXGMZ-VAWYXSNFSA-N. The full InChI is InChI=1S/C26H32N4O3S/c1-18(30-13-5-6-14-30)32-20-9-7-19(8-10-20)15-23(31)29-25-28-16-21(34-25)11-12-24-27-17-22(33-24)26(2,3)4/h7-12,16-18H,5-6,13-15H2,1-4H3,(H,28,29,31)/b12-11+.
What are the key properties of N-[5-[(E)-2-(5-tert-butyl-1,3-oxazol-2-yl)ethenyl]-1,3-thiazol-2-yl]-2-[4-(1-pyrrolidin-1-ylethoxy)phenyl]acetamide?
N-[5-[(E)-2-(5-tert-butyl-1,3-oxazol-2-yl)ethenyl]-1,3-thiazol-2-yl]-2-[4-(1-pyrrolidin-1-ylethoxy)phenyl]acetamide has a molecular weight of 480.63 g/mol, XLogP of 5.60, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(E)-2-(5-tert-butyl-1,3-oxazol-2-yl)ethenyl]-1,3-thiazol-2-yl]-2-[4-(1-pyrrolidin-1-ylethoxy)phenyl]acetamide is sourced from PubChem (CID 87884762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).