N-[5-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3,4-oxadiazol-2-yl]-2-(2-nitrophenoxy)acetamide

C15H13N5O5S — CID 51065186

IUPACN-[5-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3,4-oxadiazol-2-yl]-2-(2-nitrophenoxy)acetamide
SMILESCc1nc(C)c(-c2nnc(NC(=O)COc3ccccc3[N+](=O)[O-])o2)s1
InChIInChI=1S/C15H13N5O5S/c1-8-13(26-9(2)16-8)14-18-19-15(25-14)17-12(21)7-24-11-6-4-3-5-10(11)20(22)23/h3-6H,7H2,1-2H3,(H,17,19,21)
InChIKeyXTSCMOPAXIZURC-UHFFFAOYSA-N
MW375.37 g/mol
LogP2.74
Rot. Bonds6

About N-[5-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3,4-oxadiazol-2-yl]-2-(2-nitrophenoxy)acetamide

N-[5-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3,4-oxadiazol-2-yl]-2-(2-nitrophenoxy)acetamide (PubChem CID 51065186) has the molecular formula C15H13N5O5S and a molecular weight of 375.37 g/mol. Its IUPAC name is N-[5-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3,4-oxadiazol-2-yl]-2-(2-nitrophenoxy)acetamide.

Molecular Properties

Compound NameN-[5-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3,4-oxadiazol-2-yl]-2-(2-nitrophenoxy)acetamide
PubChem CID51065186
Molecular FormulaC15H13N5O5S
Molecular Weight375.37 g/mol
Exact Mass375.06
IUPAC NameN-[5-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3,4-oxadiazol-2-yl]-2-(2-nitrophenoxy)acetamide
SMILESCc1nc(C)c(-c2nnc(NC(=O)COc3ccccc3[N+](=O)[O-])o2)s1
InChIInChI=1S/C15H13N5O5S/c1-8-13(26-9(2)16-8)14-18-19-15(25-14)17-12(21)7-24-11-6-4-3-5-10(11)20(22)23/h3-6H,7H2,1-2H3,(H,17,19,21)
InChIKeyXTSCMOPAXIZURC-UHFFFAOYSA-N
XLogP2.74
TPSA133.28 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.37
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[5-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-4-methyl-1,3-thiazol-2-yl]-2-(2-nitrophenoxy)acetamide
CID 39043081
N-[4-methyl-5-(1-methylimidazol-2-yl)-1,3-thiazol-2-yl]-2-(2-nitrophenoxy)acetamide
CID 25366906
N-(4-methyl-1,3-thiazol-2-yl)-2-(2-nitrophenoxy)acetamide
CID 2088036
N-(1,3-benzothiazol-2-yl)-2-(2-nitrophenoxy)acetamide
CID 7793934
ethyl 4-methyl-2-[[2-(2-nitrophenoxy)acetyl]amino]-1,3-thiazole-5-carboxylate
CID 23969085
N-(5-methyl-2-pyridinyl)-2-(2-nitrophenoxy)acetamide
CID 2319869
N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-2-(2-nitrophenoxy)acetamide
CID 19210100
N-(3-acetamido-2-methylphenyl)-2-(2-nitrophenoxy)acetamide
CID 134019256
N-[4,5-bis(furan-2-yl)-1,3-thiazol-2-yl]-2-(2-nitrophenoxy)acetamide
CID 7916665
N-[4-(5,6-dimethyl-1,3-benzoxazol-2-yl)phenyl]-2-(2-nitrophenoxy)acetamide
CID 1364476
N-[4-[[2-(2-nitrophenoxy)acetyl]amino]phenyl]propanamide
CID 17204887
N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]-2-(2-nitrophenoxy)acetamide
CID 108737244

Frequently Asked Questions

What is the IUPAC name of N-[5-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3,4-oxadiazol-2-yl]-2-(2-nitrophenoxy)acetamide?
The IUPAC name of N-[5-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3,4-oxadiazol-2-yl]-2-(2-nitrophenoxy)acetamide (CID 51065186) is N-[5-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3,4-oxadiazol-2-yl]-2-(2-nitrophenoxy)acetamide.
What is the SMILES notation for N-[5-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3,4-oxadiazol-2-yl]-2-(2-nitrophenoxy)acetamide?
The canonical SMILES for N-[5-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3,4-oxadiazol-2-yl]-2-(2-nitrophenoxy)acetamide is Cc1nc(C)c(-c2nnc(NC(=O)COc3ccccc3[N+](=O)[O-])o2)s1.
What is the InChIKey of N-[5-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3,4-oxadiazol-2-yl]-2-(2-nitrophenoxy)acetamide?
The InChIKey is XTSCMOPAXIZURC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N5O5S/c1-8-13(26-9(2)16-8)14-18-19-15(25-14)17-12(21)7-24-11-6-4-3-5-10(11)20(22)23/h3-6H,7H2,1-2H3,(H,17,19,21).
What are the key properties of N-[5-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3,4-oxadiazol-2-yl]-2-(2-nitrophenoxy)acetamide?
N-[5-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3,4-oxadiazol-2-yl]-2-(2-nitrophenoxy)acetamide has a molecular weight of 375.37 g/mol, XLogP of 2.74, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3,4-oxadiazol-2-yl]-2-(2-nitrophenoxy)acetamide is sourced from PubChem (CID 51065186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).