2-[7-[5-[chloro(difluoro)methyl]-1,2,4-oxadiazol-3-yl]imidazo[1,2-a]pyridin-2-yl]acetamide

C12H8ClF2N5O2 — CID 155708425

IUPAC2-[7-[5-[chloro(difluoro)methyl]-1,2,4-oxadiazol-3-yl]imidazo[1,2-a]pyridin-2-yl]acetamide
SMILESNC(=O)Cc1cn2ccc(-c3noc(C(F)(F)Cl)n3)cc2n1
InChIInChI=1S/C12H8ClF2N5O2/c13-12(14,15)11-18-10(19-22-11)6-1-2-20-5-7(4-8(16)21)17-9(20)3-6/h1-3,5H,4H2,(H2,16,21)
InChIKeyIRCUKYZGNVDRAP-UHFFFAOYSA-N
MW327.68 g/mol
LogP1.70
Rot. Bonds4

About 2-[7-[5-[chloro(difluoro)methyl]-1,2,4-oxadiazol-3-yl]imidazo[1,2-a]pyridin-2-yl]acetamide

2-[7-[5-[chloro(difluoro)methyl]-1,2,4-oxadiazol-3-yl]imidazo[1,2-a]pyridin-2-yl]acetamide (PubChem CID 155708425) has the molecular formula C12H8ClF2N5O2 and a molecular weight of 327.68 g/mol. Its IUPAC name is 2-[7-[5-[chloro(difluoro)methyl]-1,2,4-oxadiazol-3-yl]imidazo[1,2-a]pyridin-2-yl]acetamide.

Molecular Properties

Compound Name2-[7-[5-[chloro(difluoro)methyl]-1,2,4-oxadiazol-3-yl]imidazo[1,2-a]pyridin-2-yl]acetamide
PubChem CID155708425
Molecular FormulaC12H8ClF2N5O2
Molecular Weight327.68 g/mol
Exact Mass327.03
IUPAC Name2-[7-[5-[chloro(difluoro)methyl]-1,2,4-oxadiazol-3-yl]imidazo[1,2-a]pyridin-2-yl]acetamide
SMILESNC(=O)Cc1cn2ccc(-c3noc(C(F)(F)Cl)n3)cc2n1
InChIInChI=1S/C12H8ClF2N5O2/c13-12(14,15)11-18-10(19-22-11)6-1-2-20-5-7(4-8(16)21)17-9(20)3-6/h1-3,5H,4H2,(H2,16,21)
InChIKeyIRCUKYZGNVDRAP-UHFFFAOYSA-N
XLogP1.70
TPSA99.31 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.68
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

N-(tert-butyl-methyl-oxo-λ6-sulfanylidene)-2-[7-[5-[chloro(difluoro)methyl]-1,2,4-oxadiazol-3-yl]imidazo[1,2-a]pyridin-2-yl]acetamide
CID 162532742
2-[7-[5-[chloro(difluoro)methyl]-1,2,4-oxadiazol-3-yl]imidazo[1,2-a]pyridin-2-yl]-N-(methyl-oxo-propan-2-yl-λ6-sulfanylidene)acetamide
CID 162532733
[7-[5-[chloro(difluoro)methyl]-1,2,4-oxadiazol-3-yl]imidazo[1,2-a]pyridin-2-yl]methylimino-methyl-oxo-(3,3,3-trifluoropropyl)-λ6-sulfane
CID 164518472
2-[7-[5-[chloro(difluoro)methyl]-1,2,4-oxadiazol-3-yl]imidazo[1,2-a]pyridin-2-yl]-N-[(2-chloro-6-methoxyphenyl)-methyl-oxo-λ6-sulfanylidene]acetamide
CID 162532745
N-(tert-butyl-methyl-oxo-λ6-sulfanylidene)-7-[5-[chloro(difluoro)methyl]-1,2,4-oxadiazol-3-yl]imidazo[1,2-a]pyridine-2-carboxamide
CID 162532643
3-[2-[(4-fluorophenyl)sulfanylmethyl]imidazo[1,2-a]pyridin-7-yl]-5-(trifluoromethyl)-1,2,4-oxadiazole
CID 155708438
3-[2-(diethoxyphosphorylmethyl)imidazo[1,2-a]pyridin-7-yl]-5-(trifluoromethyl)-1,2,4-oxadiazole
CID 162734295
7-[5-[chloro(difluoro)methyl]-1,2,4-oxadiazol-3-yl]-N-[methyl-(3-methylphenyl)-oxo-λ6-sulfanylidene]imidazo[1,2-a]pyridine-2-carboxamide
CID 162532666
3-[2-[(2-fluorophenyl)sulfanylmethyl]imidazo[1,2-a]pyridin-7-yl]-5-(trifluoromethyl)-1,2,4-oxadiazole
CID 162532747
methyl-oxo-pyridin-2-yl-[[7-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]imidazo[1,2-a]pyridin-2-yl]methylimino]-λ6-sulfane
CID 164518377
7-[5-[chloro(difluoro)methyl]-1,2,4-oxadiazol-3-yl]-N-[[3-(dimethylamino)phenyl]-methyl-oxo-λ6-sulfanylidene]imidazo[1,2-a]pyridine-2-carboxamide
CID 162532678
N-[dimethyl(oxo)-λ6-sulfanylidene]-7-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]imidazo[1,2-a]pyridine-2-carboxamide
CID 162532704

Frequently Asked Questions

What is the IUPAC name of 2-[7-[5-[chloro(difluoro)methyl]-1,2,4-oxadiazol-3-yl]imidazo[1,2-a]pyridin-2-yl]acetamide?
The IUPAC name of 2-[7-[5-[chloro(difluoro)methyl]-1,2,4-oxadiazol-3-yl]imidazo[1,2-a]pyridin-2-yl]acetamide (CID 155708425) is 2-[7-[5-[chloro(difluoro)methyl]-1,2,4-oxadiazol-3-yl]imidazo[1,2-a]pyridin-2-yl]acetamide.
What is the SMILES notation for 2-[7-[5-[chloro(difluoro)methyl]-1,2,4-oxadiazol-3-yl]imidazo[1,2-a]pyridin-2-yl]acetamide?
The canonical SMILES for 2-[7-[5-[chloro(difluoro)methyl]-1,2,4-oxadiazol-3-yl]imidazo[1,2-a]pyridin-2-yl]acetamide is NC(=O)Cc1cn2ccc(-c3noc(C(F)(F)Cl)n3)cc2n1.
What is the InChIKey of 2-[7-[5-[chloro(difluoro)methyl]-1,2,4-oxadiazol-3-yl]imidazo[1,2-a]pyridin-2-yl]acetamide?
The InChIKey is IRCUKYZGNVDRAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8ClF2N5O2/c13-12(14,15)11-18-10(19-22-11)6-1-2-20-5-7(4-8(16)21)17-9(20)3-6/h1-3,5H,4H2,(H2,16,21).
What are the key properties of 2-[7-[5-[chloro(difluoro)methyl]-1,2,4-oxadiazol-3-yl]imidazo[1,2-a]pyridin-2-yl]acetamide?
2-[7-[5-[chloro(difluoro)methyl]-1,2,4-oxadiazol-3-yl]imidazo[1,2-a]pyridin-2-yl]acetamide has a molecular weight of 327.68 g/mol, XLogP of 1.70, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[7-[5-[chloro(difluoro)methyl]-1,2,4-oxadiazol-3-yl]imidazo[1,2-a]pyridin-2-yl]acetamide is sourced from PubChem (CID 155708425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).