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

C19H12ClN3O2S — CID 4900558

IUPACN-[2-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]phenyl]thiophene-2-carboxamide
SMILESO=C(Nc1ccccc1-c1nc(-c2ccccc2Cl)no1)c1cccs1
InChIInChI=1S/C19H12ClN3O2S/c20-14-8-3-1-6-12(14)17-22-19(25-23-17)13-7-2-4-9-15(13)21-18(24)16-10-5-11-26-16/h1-11H,(H,21,24)
InChIKeyOZEHFFCLGKMODC-UHFFFAOYSA-N
MW381.84 g/mol
LogP5.37
Rot. Bonds4

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

N-[2-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]phenyl]thiophene-2-carboxamide (PubChem CID 4900558) has the molecular formula C19H12ClN3O2S and a molecular weight of 381.84 g/mol. Its IUPAC name is N-[2-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]phenyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]phenyl]thiophene-2-carboxamide
PubChem CID4900558
Molecular FormulaC19H12ClN3O2S
Molecular Weight381.84 g/mol
Exact Mass381.03
IUPAC NameN-[2-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]phenyl]thiophene-2-carboxamide
SMILESO=C(Nc1ccccc1-c1nc(-c2ccccc2Cl)no1)c1cccs1
InChIInChI=1S/C19H12ClN3O2S/c20-14-8-3-1-6-12(14)17-22-19(25-23-17)13-7-2-4-9-15(13)21-18(24)16-10-5-11-26-16/h1-11H,(H,21,24)
InChIKeyOZEHFFCLGKMODC-UHFFFAOYSA-N
XLogP5.37
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.84
LogP ≤ 55.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)phenyl]thiophene-2-carboxamide
CID 30332113
N-[2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)phenyl]thiophene-2-carboxamide
CID 30332097
N-(2-chlorophenyl)thiophene-2-carboxamide
CID 652985
N-[2-chloro-5-[[4-(2-chlorophenyl)-1,3-thiazol-2-yl]carbamoyl]phenyl]thiophene-2-carboxamide
CID 4845975
5-(2,5-dichlorophenyl)-N-[2-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)phenyl]furan-2-carboxamide
CID 30334208
N-[3-[[2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]carbamoyl]phenyl]thiophene-2-carboxamide
CID 55765466
N-(2-thiophen-2-ylphenyl)thiophene-2-carboxamide
CID 17412743
N-[2-chloro-5-[[5-(2-chlorophenyl)-1,3,4-thiadiazol-2-yl]carbamoyl]phenyl]thiophene-2-carboxamide
CID 60576136
3,4-dichloro-N-[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]phenyl]benzamide
CID 2797889
N-[2-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)phenyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 30333561
N-(4-chloro-3-pyridinyl)thiophene-2-carboxamide
CID 78965933
5-nitro-N-[2-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)phenyl]furan-2-carboxamide
CID 30332060

Frequently Asked Questions

What is the IUPAC name of N-[2-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]phenyl]thiophene-2-carboxamide?
The IUPAC name of N-[2-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]phenyl]thiophene-2-carboxamide (CID 4900558) is N-[2-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]phenyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[2-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]phenyl]thiophene-2-carboxamide?
The canonical SMILES for N-[2-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]phenyl]thiophene-2-carboxamide is O=C(Nc1ccccc1-c1nc(-c2ccccc2Cl)no1)c1cccs1.
What is the InChIKey of N-[2-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]phenyl]thiophene-2-carboxamide?
The InChIKey is OZEHFFCLGKMODC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12ClN3O2S/c20-14-8-3-1-6-12(14)17-22-19(25-23-17)13-7-2-4-9-15(13)21-18(24)16-10-5-11-26-16/h1-11H,(H,21,24).
What are the key properties of N-[2-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]phenyl]thiophene-2-carboxamide?
N-[2-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]phenyl]thiophene-2-carboxamide has a molecular weight of 381.84 g/mol, XLogP of 5.37, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]phenyl]thiophene-2-carboxamide is sourced from PubChem (CID 4900558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).