2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)-N-(5-propylsulfanyl-1,3,4-thiadiazol-2-yl)acetamide

C17H18N4O2S2 — CID 23855975

IUPAC2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)-N-(5-propylsulfanyl-1,3,4-thiadiazol-2-yl)acetamide
SMILESCCCSc1nnc(NC(=O)Cc2nc(-c3ccccc3)oc2C)s1
InChIInChI=1S/C17H18N4O2S2/c1-3-9-24-17-21-20-16(25-17)19-14(22)10-13-11(2)23-15(18-13)12-7-5-4-6-8-12/h4-8H,3,9-10H2,1-2H3,(H,19,20,22)
InChIKeyCLVGRHKOXPAOBD-UHFFFAOYSA-N
MW374.49 g/mol
LogP4.18
Rot. Bonds7

About 2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)-N-(5-propylsulfanyl-1,3,4-thiadiazol-2-yl)acetamide

2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)-N-(5-propylsulfanyl-1,3,4-thiadiazol-2-yl)acetamide (PubChem CID 23855975) has the molecular formula C17H18N4O2S2 and a molecular weight of 374.49 g/mol. Its IUPAC name is 2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)-N-(5-propylsulfanyl-1,3,4-thiadiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)-N-(5-propylsulfanyl-1,3,4-thiadiazol-2-yl)acetamide
PubChem CID23855975
Molecular FormulaC17H18N4O2S2
Molecular Weight374.49 g/mol
Exact Mass374.09
IUPAC Name2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)-N-(5-propylsulfanyl-1,3,4-thiadiazol-2-yl)acetamide
SMILESCCCSc1nnc(NC(=O)Cc2nc(-c3ccccc3)oc2C)s1
InChIInChI=1S/C17H18N4O2S2/c1-3-9-24-17-21-20-16(25-17)19-14(22)10-13-11(2)23-15(18-13)12-7-5-4-6-8-12/h4-8H,3,9-10H2,1-2H3,(H,19,20,22)
InChIKeyCLVGRHKOXPAOBD-UHFFFAOYSA-N
XLogP4.18
TPSA80.91 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.49
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-acyl-2-amino-5-mercapto-1,3,4-_thiadiazole', 'substructure': 'N/A'}

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Related Compounds

2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)-N-(3-phenyl-1,2,4-thiadiazol-5-yl)acetamide
CID 55750393
N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetamide
CID 33041067
4-[[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetyl]amino]benzamide
CID 16620994
2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)-N-pentylacetamide
CID 46529017
2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)-N-naphthalen-1-ylacetamide
CID 16614398
N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
CID 9458753
N-[5-[(4-chlorophenyl)methyl]-1,3-thiazol-2-yl]-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetamide
CID 18270785
2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)-N-(5-phenyl-2-pyridinyl)acetamide
CID 55952063
(2R)-2-[[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetyl]amino]-2-phenylacetamide
CID 94614527
2-(2-methylphenoxy)-N-(5-propylsulfanyl-1,3,4-thiadiazol-2-yl)acetamide
CID 19217708
4-(2-oxo-2-phenylacetyl)-N-(5-propylsulfanyl-1,3,4-thiadiazol-2-yl)benzamide
CID 19226665
1,1-dimethyl-3-(5-propylsulfanyl-1,3,4-thiadiazol-2-yl)urea
CID 91995911

Frequently Asked Questions

What is the IUPAC name of 2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)-N-(5-propylsulfanyl-1,3,4-thiadiazol-2-yl)acetamide?
The IUPAC name of 2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)-N-(5-propylsulfanyl-1,3,4-thiadiazol-2-yl)acetamide (CID 23855975) is 2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)-N-(5-propylsulfanyl-1,3,4-thiadiazol-2-yl)acetamide.
What is the SMILES notation for 2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)-N-(5-propylsulfanyl-1,3,4-thiadiazol-2-yl)acetamide?
The canonical SMILES for 2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)-N-(5-propylsulfanyl-1,3,4-thiadiazol-2-yl)acetamide is CCCSc1nnc(NC(=O)Cc2nc(-c3ccccc3)oc2C)s1.
What is the InChIKey of 2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)-N-(5-propylsulfanyl-1,3,4-thiadiazol-2-yl)acetamide?
The InChIKey is CLVGRHKOXPAOBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O2S2/c1-3-9-24-17-21-20-16(25-17)19-14(22)10-13-11(2)23-15(18-13)12-7-5-4-6-8-12/h4-8H,3,9-10H2,1-2H3,(H,19,20,22).
What are the key properties of 2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)-N-(5-propylsulfanyl-1,3,4-thiadiazol-2-yl)acetamide?
2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)-N-(5-propylsulfanyl-1,3,4-thiadiazol-2-yl)acetamide has a molecular weight of 374.49 g/mol, XLogP of 4.18, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)-N-(5-propylsulfanyl-1,3,4-thiadiazol-2-yl)acetamide is sourced from PubChem (CID 23855975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).