N-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]thiophene-2-carboxamide

C14H10ClN3O2S — CID 4896215

IUPACN-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]thiophene-2-carboxamide
SMILESO=C(NCc1nc(-c2ccccc2Cl)no1)c1cccs1
InChIInChI=1S/C14H10ClN3O2S/c15-10-5-2-1-4-9(10)13-17-12(20-18-13)8-16-14(19)11-6-3-7-21-11/h1-7H,8H2,(H,16,19)
InChIKeyDAWJIYDYVCYYJB-UHFFFAOYSA-N
MW319.77 g/mol
LogP3.38
Rot. Bonds4

About N-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]thiophene-2-carboxamide

N-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]thiophene-2-carboxamide (PubChem CID 4896215) has the molecular formula C14H10ClN3O2S and a molecular weight of 319.77 g/mol. Its IUPAC name is N-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]thiophene-2-carboxamide
PubChem CID4896215
Molecular FormulaC14H10ClN3O2S
Molecular Weight319.77 g/mol
Exact Mass319.02
IUPAC NameN-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]thiophene-2-carboxamide
SMILESO=C(NCc1nc(-c2ccccc2Cl)no1)c1cccs1
InChIInChI=1S/C14H10ClN3O2S/c15-10-5-2-1-4-9(10)13-17-12(20-18-13)8-16-14(19)11-6-3-7-21-11/h1-7H,8H2,(H,16,19)
InChIKeyDAWJIYDYVCYYJB-UHFFFAOYSA-N
XLogP3.38
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.77
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]thiophene-2-carboxamide?
The IUPAC name of N-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]thiophene-2-carboxamide (CID 4896215) is N-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]thiophene-2-carboxamide?
The canonical SMILES for N-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]thiophene-2-carboxamide is O=C(NCc1nc(-c2ccccc2Cl)no1)c1cccs1.
What is the InChIKey of N-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]thiophene-2-carboxamide?
The InChIKey is DAWJIYDYVCYYJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClN3O2S/c15-10-5-2-1-4-9(10)13-17-12(20-18-13)8-16-14(19)11-6-3-7-21-11/h1-7H,8H2,(H,16,19).
What are the key properties of N-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]thiophene-2-carboxamide?
N-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]thiophene-2-carboxamide has a molecular weight of 319.77 g/mol, XLogP of 3.38, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]thiophene-2-carboxamide is sourced from PubChem (CID 4896215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).