N-methyl-2-[4-[(5-phenyl-1,3,4-oxadiazol-2-yl)oxymethyl]-1,3-thiazol-2-yl]acetamide

C15H14N4O3S — CID 99819030

IUPACN-methyl-2-[4-[(5-phenyl-1,3,4-oxadiazol-2-yl)oxymethyl]-1,3-thiazol-2-yl]acetamide
SMILESCNC(=O)Cc1nc(COc2nnc(-c3ccccc3)o2)cs1
InChIInChI=1S/C15H14N4O3S/c1-16-12(20)7-13-17-11(9-23-13)8-21-15-19-18-14(22-15)10-5-3-2-4-6-10/h2-6,9H,7-8H2,1H3,(H,16,20)
InChIKeyCCRUIFQCYMKHAS-UHFFFAOYSA-N
MW330.37 g/mol
LogP2.06
Rot. Bonds6

About N-methyl-2-[4-[(5-phenyl-1,3,4-oxadiazol-2-yl)oxymethyl]-1,3-thiazol-2-yl]acetamide

N-methyl-2-[4-[(5-phenyl-1,3,4-oxadiazol-2-yl)oxymethyl]-1,3-thiazol-2-yl]acetamide (PubChem CID 99819030) has the molecular formula C15H14N4O3S and a molecular weight of 330.37 g/mol. Its IUPAC name is N-methyl-2-[4-[(5-phenyl-1,3,4-oxadiazol-2-yl)oxymethyl]-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound NameN-methyl-2-[4-[(5-phenyl-1,3,4-oxadiazol-2-yl)oxymethyl]-1,3-thiazol-2-yl]acetamide
PubChem CID99819030
Molecular FormulaC15H14N4O3S
Molecular Weight330.37 g/mol
Exact Mass330.08
IUPAC NameN-methyl-2-[4-[(5-phenyl-1,3,4-oxadiazol-2-yl)oxymethyl]-1,3-thiazol-2-yl]acetamide
SMILESCNC(=O)Cc1nc(COc2nnc(-c3ccccc3)o2)cs1
InChIInChI=1S/C15H14N4O3S/c1-16-12(20)7-13-17-11(9-23-13)8-21-15-19-18-14(22-15)10-5-3-2-4-6-10/h2-6,9H,7-8H2,1H3,(H,16,20)
InChIKeyCCRUIFQCYMKHAS-UHFFFAOYSA-N
XLogP2.06
TPSA90.14 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.37
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-[4-(chloromethyl)-1,3-thiazol-2-yl]-N-methylacetamide
CID 16768117
2-(4-ethyl-1,3-thiazol-2-yl)-N-methylacetamide
CID 131039339
2-[[2-(2,3-dimethoxyphenyl)-1,3-thiazol-4-yl]methoxy]-5-phenyl-1,3,4-oxadiazole
CID 55602692
N-methyl-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)oxy]-N-(1,3-thiazol-2-yl)acetamide
CID 75448103
(5-phenyl-1,3,4-oxadiazol-2-yl)methyl 2-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoate
CID 8731970
N-methyl-4-[[2-(phenoxymethyl)-1,3-thiazol-4-yl]methoxy]benzamide
CID 51124164
N-methyl-2-[4-[[[(1S,2R)-2-phenylcyclopentyl]amino]methyl]-1,3-thiazol-2-yl]acetamide
CID 99634670
2-[4-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]oxymethyl]-1,3-thiazol-2-yl]-N-(4-methylphenyl)acetamide
CID 60619291
2-(2-ethyl-1,3-thiazol-4-yl)-N-methylacetamide
CID 130662599
(2-ethyl-1,3-thiazol-4-yl)methyl 5-methyl-2-phenyl-1,3-oxazole-4-carboxylate
CID 18165685
2-(2-benzyl-1,3-thiazol-4-yl)-N'-[2-(2-phenylphenoxy)acetyl]acetohydrazide
CID 38858056
2-[4-[[(S)-(4-ethoxyphenyl)sulfinyl]methyl]-1,3-thiazol-2-yl]-N-methylacetamide
CID 97320926

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[4-[(5-phenyl-1,3,4-oxadiazol-2-yl)oxymethyl]-1,3-thiazol-2-yl]acetamide?
The IUPAC name of N-methyl-2-[4-[(5-phenyl-1,3,4-oxadiazol-2-yl)oxymethyl]-1,3-thiazol-2-yl]acetamide (CID 99819030) is N-methyl-2-[4-[(5-phenyl-1,3,4-oxadiazol-2-yl)oxymethyl]-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for N-methyl-2-[4-[(5-phenyl-1,3,4-oxadiazol-2-yl)oxymethyl]-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for N-methyl-2-[4-[(5-phenyl-1,3,4-oxadiazol-2-yl)oxymethyl]-1,3-thiazol-2-yl]acetamide is CNC(=O)Cc1nc(COc2nnc(-c3ccccc3)o2)cs1.
What is the InChIKey of N-methyl-2-[4-[(5-phenyl-1,3,4-oxadiazol-2-yl)oxymethyl]-1,3-thiazol-2-yl]acetamide?
The InChIKey is CCRUIFQCYMKHAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O3S/c1-16-12(20)7-13-17-11(9-23-13)8-21-15-19-18-14(22-15)10-5-3-2-4-6-10/h2-6,9H,7-8H2,1H3,(H,16,20).
What are the key properties of N-methyl-2-[4-[(5-phenyl-1,3,4-oxadiazol-2-yl)oxymethyl]-1,3-thiazol-2-yl]acetamide?
N-methyl-2-[4-[(5-phenyl-1,3,4-oxadiazol-2-yl)oxymethyl]-1,3-thiazol-2-yl]acetamide has a molecular weight of 330.37 g/mol, XLogP of 2.06, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[4-[(5-phenyl-1,3,4-oxadiazol-2-yl)oxymethyl]-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 99819030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).