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

C15H14N4O3S — CID 92598926

IUPAC3-methoxy-N-[[5-(4-methyl-1,3-thiazol-5-yl)-1,3,4-oxadiazol-2-yl]methyl]benzamide
SMILESCOc1cccc(C(=O)NCc2nnc(-c3scnc3C)o2)c1
InChIInChI=1S/C15H14N4O3S/c1-9-13(23-8-17-9)15-19-18-12(22-15)7-16-14(20)10-4-3-5-11(6-10)21-2/h3-6,8H,7H2,1-2H3,(H,16,20)
InChIKeyATKFOGQGXJGJOH-UHFFFAOYSA-N
MW330.37 g/mol
LogP2.44
Rot. Bonds5

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

3-methoxy-N-[[5-(4-methyl-1,3-thiazol-5-yl)-1,3,4-oxadiazol-2-yl]methyl]benzamide (PubChem CID 92598926) has the molecular formula C15H14N4O3S and a molecular weight of 330.37 g/mol. Its IUPAC name is 3-methoxy-N-[[5-(4-methyl-1,3-thiazol-5-yl)-1,3,4-oxadiazol-2-yl]methyl]benzamide.

Molecular Properties

Compound Name3-methoxy-N-[[5-(4-methyl-1,3-thiazol-5-yl)-1,3,4-oxadiazol-2-yl]methyl]benzamide
PubChem CID92598926
Molecular FormulaC15H14N4O3S
Molecular Weight330.37 g/mol
Exact Mass330.08
IUPAC Name3-methoxy-N-[[5-(4-methyl-1,3-thiazol-5-yl)-1,3,4-oxadiazol-2-yl]methyl]benzamide
SMILESCOc1cccc(C(=O)NCc2nnc(-c3scnc3C)o2)c1
InChIInChI=1S/C15H14N4O3S/c1-9-13(23-8-17-9)15-19-18-12(22-15)7-16-14(20)10-4-3-5-11(6-10)21-2/h3-6,8H,7H2,1-2H3,(H,16,20)
InChIKeyATKFOGQGXJGJOH-UHFFFAOYSA-N
XLogP2.44
TPSA90.14 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.37
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 3-methoxy-N-[[5-(4-methyl-1,3-thiazol-5-yl)-1,3,4-oxadiazol-2-yl]methyl]benzamide with MolForge

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Related Compounds

3-methoxy-N-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]benzamide
CID 110319255
2-methyl-N-[[5-(4-methyl-1,3-thiazol-5-yl)-1,3,4-oxadiazol-2-yl]methyl]benzamide
CID 92561866
N-[2-[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]ethyl]-3-methoxybenzamide
CID 110320949
2,6-dimethoxy-N-[[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]benzamide
CID 110320005
4-methoxy-N-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]benzamide
CID 110322294
3-methoxy-N-[2-[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]ethyl]benzamide
CID 110321720
3,5-dimethoxy-N-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)methyl]benzamide
CID 110318682
4-methoxy-N-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]benzamide
CID 110319256
ethyl 2-[[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methylamino]-2-oxoacetate
CID 110320032
N-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-3-methylbenzamide
CID 110319780
2-(3-methoxyphenyl)-N-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)methyl]acetamide
CID 92599497
3-chloro-N-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]benzamide
CID 110319283

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-[[5-(4-methyl-1,3-thiazol-5-yl)-1,3,4-oxadiazol-2-yl]methyl]benzamide?
The IUPAC name of 3-methoxy-N-[[5-(4-methyl-1,3-thiazol-5-yl)-1,3,4-oxadiazol-2-yl]methyl]benzamide (CID 92598926) is 3-methoxy-N-[[5-(4-methyl-1,3-thiazol-5-yl)-1,3,4-oxadiazol-2-yl]methyl]benzamide.
What is the SMILES notation for 3-methoxy-N-[[5-(4-methyl-1,3-thiazol-5-yl)-1,3,4-oxadiazol-2-yl]methyl]benzamide?
The canonical SMILES for 3-methoxy-N-[[5-(4-methyl-1,3-thiazol-5-yl)-1,3,4-oxadiazol-2-yl]methyl]benzamide is COc1cccc(C(=O)NCc2nnc(-c3scnc3C)o2)c1.
What is the InChIKey of 3-methoxy-N-[[5-(4-methyl-1,3-thiazol-5-yl)-1,3,4-oxadiazol-2-yl]methyl]benzamide?
The InChIKey is ATKFOGQGXJGJOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O3S/c1-9-13(23-8-17-9)15-19-18-12(22-15)7-16-14(20)10-4-3-5-11(6-10)21-2/h3-6,8H,7H2,1-2H3,(H,16,20).
What are the key properties of 3-methoxy-N-[[5-(4-methyl-1,3-thiazol-5-yl)-1,3,4-oxadiazol-2-yl]methyl]benzamide?
3-methoxy-N-[[5-(4-methyl-1,3-thiazol-5-yl)-1,3,4-oxadiazol-2-yl]methyl]benzamide has a molecular weight of 330.37 g/mol, XLogP of 2.44, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-[[5-(4-methyl-1,3-thiazol-5-yl)-1,3,4-oxadiazol-2-yl]methyl]benzamide is sourced from PubChem (CID 92598926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).