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

C12H11ClFN3O2 — CID 123163762

IUPACN-(3-chloro-4-fluorophenyl)-4-propyl-1,2,5-oxadiazole-3-carboxamide
SMILESCCCc1nonc1C(=O)Nc1ccc(F)c(Cl)c1
InChIInChI=1S/C12H11ClFN3O2/c1-2-3-10-11(17-19-16-10)12(18)15-7-4-5-9(14)8(13)6-7/h4-6H,2-3H2,1H3,(H,15,18)
InChIKeyMIRFZLVXRGONKU-UHFFFAOYSA-N
MW283.69 g/mol
LogP3.07
Rot. Bonds4

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

N-(3-chloro-4-fluorophenyl)-4-propyl-1,2,5-oxadiazole-3-carboxamide (PubChem CID 123163762) has the molecular formula C12H11ClFN3O2 and a molecular weight of 283.69 g/mol. Its IUPAC name is N-(3-chloro-4-fluorophenyl)-4-propyl-1,2,5-oxadiazole-3-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-4-fluorophenyl)-4-propyl-1,2,5-oxadiazole-3-carboxamide
PubChem CID123163762
Molecular FormulaC12H11ClFN3O2
Molecular Weight283.69 g/mol
Exact Mass283.05
IUPAC NameN-(3-chloro-4-fluorophenyl)-4-propyl-1,2,5-oxadiazole-3-carboxamide
SMILESCCCc1nonc1C(=O)Nc1ccc(F)c(Cl)c1
InChIInChI=1S/C12H11ClFN3O2/c1-2-3-10-11(17-19-16-10)12(18)15-7-4-5-9(14)8(13)6-7/h4-6H,2-3H2,1H3,(H,15,18)
InChIKeyMIRFZLVXRGONKU-UHFFFAOYSA-N
XLogP3.07
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.69
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-chloro-4-fluorophenyl)-4-(2-methoxyethyl)-1,2,5-oxadiazole-3-carboxamide
CID 58941929
N-(3-chloro-4-fluorophenyl)-5-propyl-1,2-oxazole-3-carboxamide
CID 22427594
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)-5-methyl-4-propylthiophene-2-carboxamide
CID 7959725
N-(3-chloro-4-fluorophenyl)-4,5-dimethyl-1H-pyrazole-3-carboxamide
CID 110859321
N-(3-chloro-4-fluorophenyl)-3-(hydroxymethyl)pyrazine-2-carboxamide
CID 20866826
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
N-(3-chloro-4-fluorophenyl)-5-(pentylamino)pyridine-2-carboxamide
CID 109195858

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-fluorophenyl)-4-propyl-1,2,5-oxadiazole-3-carboxamide?
The IUPAC name of N-(3-chloro-4-fluorophenyl)-4-propyl-1,2,5-oxadiazole-3-carboxamide (CID 123163762) is N-(3-chloro-4-fluorophenyl)-4-propyl-1,2,5-oxadiazole-3-carboxamide.
What is the SMILES notation for N-(3-chloro-4-fluorophenyl)-4-propyl-1,2,5-oxadiazole-3-carboxamide?
The canonical SMILES for N-(3-chloro-4-fluorophenyl)-4-propyl-1,2,5-oxadiazole-3-carboxamide is CCCc1nonc1C(=O)Nc1ccc(F)c(Cl)c1.
What is the InChIKey of N-(3-chloro-4-fluorophenyl)-4-propyl-1,2,5-oxadiazole-3-carboxamide?
The InChIKey is MIRFZLVXRGONKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClFN3O2/c1-2-3-10-11(17-19-16-10)12(18)15-7-4-5-9(14)8(13)6-7/h4-6H,2-3H2,1H3,(H,15,18).
What are the key properties of N-(3-chloro-4-fluorophenyl)-4-propyl-1,2,5-oxadiazole-3-carboxamide?
N-(3-chloro-4-fluorophenyl)-4-propyl-1,2,5-oxadiazole-3-carboxamide has a molecular weight of 283.69 g/mol, XLogP of 3.07, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-fluorophenyl)-4-propyl-1,2,5-oxadiazole-3-carboxamide is sourced from PubChem (CID 123163762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).