2-[(5-benzyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-(3-propan-2-yl-1,2-oxazol-5-yl)acetamide

C23H23N5O2S — CID 42411737

IUPAC2-[(5-benzyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-(3-propan-2-yl-1,2-oxazol-5-yl)acetamide
SMILESCC(C)c1cc(NC(=O)CSc2nnc(Cc3ccccc3)n2-c2ccccc2)on1
InChIInChI=1S/C23H23N5O2S/c1-16(2)19-14-22(30-27-19)24-21(29)15-31-23-26-25-20(13-17-9-5-3-6-10-17)28(23)18-11-7-4-8-12-18/h3-12,14,16H,13,15H2,1-2H3,(H,24,29)
InChIKeyMIHYWOZNLGTHEK-UHFFFAOYSA-N
MW433.54 g/mol
LogP4.70
Rot. Bonds8

About 2-[(5-benzyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-(3-propan-2-yl-1,2-oxazol-5-yl)acetamide

2-[(5-benzyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-(3-propan-2-yl-1,2-oxazol-5-yl)acetamide (PubChem CID 42411737) has the molecular formula C23H23N5O2S and a molecular weight of 433.54 g/mol. Its IUPAC name is 2-[(5-benzyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-(3-propan-2-yl-1,2-oxazol-5-yl)acetamide.

Molecular Properties

Compound Name2-[(5-benzyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-(3-propan-2-yl-1,2-oxazol-5-yl)acetamide
PubChem CID42411737
Molecular FormulaC23H23N5O2S
Molecular Weight433.54 g/mol
Exact Mass433.16
IUPAC Name2-[(5-benzyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-(3-propan-2-yl-1,2-oxazol-5-yl)acetamide
SMILESCC(C)c1cc(NC(=O)CSc2nnc(Cc3ccccc3)n2-c2ccccc2)on1
InChIInChI=1S/C23H23N5O2S/c1-16(2)19-14-22(30-27-19)24-21(29)15-31-23-26-25-20(13-17-9-5-3-6-10-17)28(23)18-11-7-4-8-12-18/h3-12,14,16H,13,15H2,1-2H3,(H,24,29)
InChIKeyMIHYWOZNLGTHEK-UHFFFAOYSA-N
XLogP4.70
TPSA85.84 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.54
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-[(5-benzyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-methoxyphenyl)acetamide
CID 978975
2-[(5-benzyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-[1-(3-chlorophenyl)ethyl]acetamide
CID 16604749
2-[(5-benzyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-methylsulfanylphenyl)acetamide
CID 24602560
2-[(5-benzyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-(3-methylsulfanylphenyl)acetamide
CID 42411496
2-[[5-benzyl-4-(3-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide
CID 1302920
N'-[2-[(5-benzyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]benzohydrazide
CID 42411555
2-[(5-benzyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-bromo-4-methylphenyl)acetamide
CID 4713880
2-[(5-benzyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-(thiophen-2-ylmethyl)acetamide
CID 42414904
2-[(5-benzyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-[(1-methylimidazol-2-yl)-phenylmethyl]acetamide
CID 24602582
2-[[5-(2-chlorophenyl)-4-[3-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]sulfanyl]-N-(3-propan-2-yl-1,2-oxazol-5-yl)acetamide
CID 2475238
2-[(5-benzyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-prop-2-enylacetamide
CID 42411528
2-[[5-benzyl-4-(4-chlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(1-thiophen-2-ylethyl)acetamide
CID 112777022

Frequently Asked Questions

What is the IUPAC name of 2-[(5-benzyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-(3-propan-2-yl-1,2-oxazol-5-yl)acetamide?
The IUPAC name of 2-[(5-benzyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-(3-propan-2-yl-1,2-oxazol-5-yl)acetamide (CID 42411737) is 2-[(5-benzyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-(3-propan-2-yl-1,2-oxazol-5-yl)acetamide.
What is the SMILES notation for 2-[(5-benzyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-(3-propan-2-yl-1,2-oxazol-5-yl)acetamide?
The canonical SMILES for 2-[(5-benzyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-(3-propan-2-yl-1,2-oxazol-5-yl)acetamide is CC(C)c1cc(NC(=O)CSc2nnc(Cc3ccccc3)n2-c2ccccc2)on1.
What is the InChIKey of 2-[(5-benzyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-(3-propan-2-yl-1,2-oxazol-5-yl)acetamide?
The InChIKey is MIHYWOZNLGTHEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N5O2S/c1-16(2)19-14-22(30-27-19)24-21(29)15-31-23-26-25-20(13-17-9-5-3-6-10-17)28(23)18-11-7-4-8-12-18/h3-12,14,16H,13,15H2,1-2H3,(H,24,29).
What are the key properties of 2-[(5-benzyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-(3-propan-2-yl-1,2-oxazol-5-yl)acetamide?
2-[(5-benzyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-(3-propan-2-yl-1,2-oxazol-5-yl)acetamide has a molecular weight of 433.54 g/mol, XLogP of 4.70, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-benzyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-(3-propan-2-yl-1,2-oxazol-5-yl)acetamide is sourced from PubChem (CID 42411737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).