N-(3-chloro-4-fluorophenyl)-4-(2-methoxyethyl)-1,2,5-oxadiazole-3-carboxamide

C12H11ClFN3O3 — CID 58941929

IUPACN-(3-chloro-4-fluorophenyl)-4-(2-methoxyethyl)-1,2,5-oxadiazole-3-carboxamide
SMILESCOCCc1nonc1C(=O)Nc1ccc(F)c(Cl)c1
InChIInChI=1S/C12H11ClFN3O3/c1-19-5-4-10-11(17-20-16-10)12(18)15-7-2-3-9(14)8(13)6-7/h2-3,6H,4-5H2,1H3,(H,15,18)
InChIKeyUZGJOOGMKYQSTN-UHFFFAOYSA-N
MW299.69 g/mol
LogP2.30
Rot. Bonds5

About N-(3-chloro-4-fluorophenyl)-4-(2-methoxyethyl)-1,2,5-oxadiazole-3-carboxamide

N-(3-chloro-4-fluorophenyl)-4-(2-methoxyethyl)-1,2,5-oxadiazole-3-carboxamide (PubChem CID 58941929) has the molecular formula C12H11ClFN3O3 and a molecular weight of 299.69 g/mol. Its IUPAC name is N-(3-chloro-4-fluorophenyl)-4-(2-methoxyethyl)-1,2,5-oxadiazole-3-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-4-fluorophenyl)-4-(2-methoxyethyl)-1,2,5-oxadiazole-3-carboxamide
PubChem CID58941929
Molecular FormulaC12H11ClFN3O3
Molecular Weight299.69 g/mol
Exact Mass299.05
IUPAC NameN-(3-chloro-4-fluorophenyl)-4-(2-methoxyethyl)-1,2,5-oxadiazole-3-carboxamide
SMILESCOCCc1nonc1C(=O)Nc1ccc(F)c(Cl)c1
InChIInChI=1S/C12H11ClFN3O3/c1-19-5-4-10-11(17-20-16-10)12(18)15-7-2-3-9(14)8(13)6-7/h2-3,6H,4-5H2,1H3,(H,15,18)
InChIKeyUZGJOOGMKYQSTN-UHFFFAOYSA-N
XLogP2.30
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.69
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-chloro-4-fluorophenyl)-4-propyl-1,2,5-oxadiazole-3-carboxamide
CID 123163762
N-(3-chloro-4-fluorophenyl)-4-formyl-1,2,5-oxadiazole-3-carboxamide
CID 58941813
ethyl (E)-3-[4-[(3-chloro-4-fluorophenyl)carbamoyl]-1,2,5-oxadiazol-3-yl]prop-2-enoate
CID 58941780
ethyl 3-[(3-chloro-4-fluorophenyl)carbamoyl]pyrazine-2-carboxylate
CID 23633120
N-(3-chloro-4-fluorophenyl)-3-(hydroxymethyl)pyrazine-2-carboxamide
CID 20866826
1-(3-chloro-4-fluorophenyl)-3-(2-methoxyethyl)urea
CID 47194731
N-(3-chloro-4-fluorophenyl)-5-propyl-1,2-oxazole-3-carboxamide
CID 22427594
N-(3-chloro-4-fluorophenyl)-2-(2-methoxyethoxy)pyridine-4-carboxamide
CID 119100107
N-(3-chloro-4-fluorophenyl)-4,5-dimethyl-1H-pyrazole-3-carboxamide
CID 110859321
1-N-(3-chloro-4-fluorophenyl)-4-N-(5-methyl-1,2-oxazol-3-yl)benzene-1,4-dicarboxamide
CID 109050037
5-tert-butyl-N-(3-chloro-4-fluorophenyl)-1,2-oxazole-3-carboxamide
CID 73051560
N-(3-chloro-4-fluorophenyl)-N'-(5-methyl-1,2-oxazol-3-yl)propanediamide
CID 108955334

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-fluorophenyl)-4-(2-methoxyethyl)-1,2,5-oxadiazole-3-carboxamide?
The IUPAC name of N-(3-chloro-4-fluorophenyl)-4-(2-methoxyethyl)-1,2,5-oxadiazole-3-carboxamide (CID 58941929) is N-(3-chloro-4-fluorophenyl)-4-(2-methoxyethyl)-1,2,5-oxadiazole-3-carboxamide.
What is the SMILES notation for N-(3-chloro-4-fluorophenyl)-4-(2-methoxyethyl)-1,2,5-oxadiazole-3-carboxamide?
The canonical SMILES for N-(3-chloro-4-fluorophenyl)-4-(2-methoxyethyl)-1,2,5-oxadiazole-3-carboxamide is COCCc1nonc1C(=O)Nc1ccc(F)c(Cl)c1.
What is the InChIKey of N-(3-chloro-4-fluorophenyl)-4-(2-methoxyethyl)-1,2,5-oxadiazole-3-carboxamide?
The InChIKey is UZGJOOGMKYQSTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClFN3O3/c1-19-5-4-10-11(17-20-16-10)12(18)15-7-2-3-9(14)8(13)6-7/h2-3,6H,4-5H2,1H3,(H,15,18).
What are the key properties of N-(3-chloro-4-fluorophenyl)-4-(2-methoxyethyl)-1,2,5-oxadiazole-3-carboxamide?
N-(3-chloro-4-fluorophenyl)-4-(2-methoxyethyl)-1,2,5-oxadiazole-3-carboxamide has a molecular weight of 299.69 g/mol, XLogP of 2.30, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-fluorophenyl)-4-(2-methoxyethyl)-1,2,5-oxadiazole-3-carboxamide is sourced from PubChem (CID 58941929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).