2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)-N-[5-[(5-propan-2-yl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]acetamide

C22H22N4O3S2 — CID 22971403

IUPAC2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)-N-[5-[(5-propan-2-yl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]acetamide
SMILESCc1oc(-c2ccccc2)nc1CC(=O)Nc1ncc(SCc2ncc(C(C)C)o2)s1
InChIInChI=1S/C22H22N4O3S2/c1-13(2)17-10-23-19(29-17)12-30-20-11-24-22(31-20)26-18(27)9-16-14(3)28-21(25-16)15-7-5-4-6-8-15/h4-8,10-11,13H,9,12H2,1-3H3,(H,24,26,27)
InChIKeyQFNYFQVBEUTOOG-UHFFFAOYSA-N
MW454.58 g/mol
LogP5.69
Rot. Bonds8

About 2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)-N-[5-[(5-propan-2-yl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]acetamide

2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)-N-[5-[(5-propan-2-yl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]acetamide (PubChem CID 22971403) has the molecular formula C22H22N4O3S2 and a molecular weight of 454.58 g/mol. Its IUPAC name is 2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)-N-[5-[(5-propan-2-yl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound Name2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)-N-[5-[(5-propan-2-yl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]acetamide
PubChem CID22971403
Molecular FormulaC22H22N4O3S2
Molecular Weight454.58 g/mol
Exact Mass454.11
IUPAC Name2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)-N-[5-[(5-propan-2-yl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]acetamide
SMILESCc1oc(-c2ccccc2)nc1CC(=O)Nc1ncc(SCc2ncc(C(C)C)o2)s1
InChIInChI=1S/C22H22N4O3S2/c1-13(2)17-10-23-19(29-17)12-30-20-11-24-22(31-20)26-18(27)9-16-14(3)28-21(25-16)15-7-5-4-6-8-15/h4-8,10-11,13H,9,12H2,1-3H3,(H,24,26,27)
InChIKeyQFNYFQVBEUTOOG-UHFFFAOYSA-N
XLogP5.69
TPSA94.05 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500454.58
LogP ≤ 55.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)-N-[5-[(5-propan-2-yl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]acetamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)-N-[5-[(5-propan-2-yl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]acetamide?
The IUPAC name of 2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)-N-[5-[(5-propan-2-yl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]acetamide (CID 22971403) is 2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)-N-[5-[(5-propan-2-yl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for 2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)-N-[5-[(5-propan-2-yl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for 2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)-N-[5-[(5-propan-2-yl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]acetamide is Cc1oc(-c2ccccc2)nc1CC(=O)Nc1ncc(SCc2ncc(C(C)C)o2)s1.
What is the InChIKey of 2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)-N-[5-[(5-propan-2-yl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]acetamide?
The InChIKey is QFNYFQVBEUTOOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O3S2/c1-13(2)17-10-23-19(29-17)12-30-20-11-24-22(31-20)26-18(27)9-16-14(3)28-21(25-16)15-7-5-4-6-8-15/h4-8,10-11,13H,9,12H2,1-3H3,(H,24,26,27).
What are the key properties of 2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)-N-[5-[(5-propan-2-yl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]acetamide?
2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)-N-[5-[(5-propan-2-yl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]acetamide has a molecular weight of 454.58 g/mol, XLogP of 5.69, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)-N-[5-[(5-propan-2-yl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 22971403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).