2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]-N-(5-prop-2-enylsulfanyl-1,3,4-thiadiazol-2-yl)benzamide

C16H15N5O3S2 — CID 16592447

IUPAC2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]-N-(5-prop-2-enylsulfanyl-1,3,4-thiadiazol-2-yl)benzamide
SMILESC=CCSc1nnc(NC(=O)c2ccccc2OCc2noc(C)n2)s1
InChIInChI=1S/C16H15N5O3S2/c1-3-8-25-16-20-19-15(26-16)18-14(22)11-6-4-5-7-12(11)23-9-13-17-10(2)24-21-13/h3-7H,1,8-9H2,2H3,(H,18,19,22)
InChIKeyDQGLFCZGRQWWMS-UHFFFAOYSA-N
MW389.46 g/mol
LogP3.34
Rot. Bonds8

About 2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]-N-(5-prop-2-enylsulfanyl-1,3,4-thiadiazol-2-yl)benzamide

2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]-N-(5-prop-2-enylsulfanyl-1,3,4-thiadiazol-2-yl)benzamide (PubChem CID 16592447) has the molecular formula C16H15N5O3S2 and a molecular weight of 389.46 g/mol. Its IUPAC name is 2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]-N-(5-prop-2-enylsulfanyl-1,3,4-thiadiazol-2-yl)benzamide.

Molecular Properties

Compound Name2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]-N-(5-prop-2-enylsulfanyl-1,3,4-thiadiazol-2-yl)benzamide
PubChem CID16592447
Molecular FormulaC16H15N5O3S2
Molecular Weight389.46 g/mol
Exact Mass389.06
IUPAC Name2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]-N-(5-prop-2-enylsulfanyl-1,3,4-thiadiazol-2-yl)benzamide
SMILESC=CCSc1nnc(NC(=O)c2ccccc2OCc2noc(C)n2)s1
InChIInChI=1S/C16H15N5O3S2/c1-3-8-25-16-20-19-15(26-16)18-14(22)11-6-4-5-7-12(11)23-9-13-17-10(2)24-21-13/h3-7H,1,8-9H2,2H3,(H,18,19,22)
InChIKeyDQGLFCZGRQWWMS-UHFFFAOYSA-N
XLogP3.34
TPSA103.03 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.46
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Related Compounds

N-(4-methyl-1,3-benzothiazol-2-yl)-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzamide
CID 24686372
N-(4-fluorophenyl)-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzamide
CID 31301282
2-ethoxy-N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)benzamide
CID 872228
2-ethoxy-N-[5-[(E)-3-phenylprop-2-enyl]sulfanyl-1,3,4-thiadiazol-2-yl]benzamide
CID 2223318
N-(4-methoxyphenyl)-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzamide
CID 46688985
2-(methanesulfonamido)-N-(5-prop-2-enylsulfanyl-1,3,4-thiadiazol-2-yl)benzamide
CID 100595501
2-(2-methoxyphenoxy)-N-(5-prop-2-enylsulfanyl-1,3,4-thiadiazol-2-yl)acetamide
CID 8697651
N-(3,5-dichlorophenyl)-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzamide
CID 16579605
N-(4-tert-butylphenyl)-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzamide
CID 46673190
N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzamide
CID 16592556
N-[4-(4-ethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzamide
CID 16592826
2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]-N-[4-(4-methylsulfanylphenyl)-1,3-thiazol-2-yl]benzamide
CID 43039863

Frequently Asked Questions

What is the IUPAC name of 2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]-N-(5-prop-2-enylsulfanyl-1,3,4-thiadiazol-2-yl)benzamide?
The IUPAC name of 2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]-N-(5-prop-2-enylsulfanyl-1,3,4-thiadiazol-2-yl)benzamide (CID 16592447) is 2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]-N-(5-prop-2-enylsulfanyl-1,3,4-thiadiazol-2-yl)benzamide.
What is the SMILES notation for 2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]-N-(5-prop-2-enylsulfanyl-1,3,4-thiadiazol-2-yl)benzamide?
The canonical SMILES for 2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]-N-(5-prop-2-enylsulfanyl-1,3,4-thiadiazol-2-yl)benzamide is C=CCSc1nnc(NC(=O)c2ccccc2OCc2noc(C)n2)s1.
What is the InChIKey of 2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]-N-(5-prop-2-enylsulfanyl-1,3,4-thiadiazol-2-yl)benzamide?
The InChIKey is DQGLFCZGRQWWMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N5O3S2/c1-3-8-25-16-20-19-15(26-16)18-14(22)11-6-4-5-7-12(11)23-9-13-17-10(2)24-21-13/h3-7H,1,8-9H2,2H3,(H,18,19,22).
What are the key properties of 2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]-N-(5-prop-2-enylsulfanyl-1,3,4-thiadiazol-2-yl)benzamide?
2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]-N-(5-prop-2-enylsulfanyl-1,3,4-thiadiazol-2-yl)benzamide has a molecular weight of 389.46 g/mol, XLogP of 3.34, 8 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]-N-(5-prop-2-enylsulfanyl-1,3,4-thiadiazol-2-yl)benzamide is sourced from PubChem (CID 16592447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).