2-chloro-4-methyl-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]benzamide

C15H12ClN3O2S — CID 27262020

IUPAC2-chloro-4-methyl-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]benzamide
SMILESCc1ccc(C(=O)NCc2nc(-c3cccs3)no2)c(Cl)c1
InChIInChI=1S/C15H12ClN3O2S/c1-9-4-5-10(11(16)7-9)15(20)17-8-13-18-14(19-21-13)12-3-2-6-22-12/h2-7H,8H2,1H3,(H,17,20)
InChIKeyWEDRYMYWBFBNJF-UHFFFAOYSA-N
MW333.80 g/mol
LogP3.69
Rot. Bonds4

About 2-chloro-4-methyl-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]benzamide

2-chloro-4-methyl-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]benzamide (PubChem CID 27262020) has the molecular formula C15H12ClN3O2S and a molecular weight of 333.80 g/mol. Its IUPAC name is 2-chloro-4-methyl-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]benzamide.

Molecular Properties

Compound Name2-chloro-4-methyl-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]benzamide
PubChem CID27262020
Molecular FormulaC15H12ClN3O2S
Molecular Weight333.80 g/mol
Exact Mass333.03
IUPAC Name2-chloro-4-methyl-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]benzamide
SMILESCc1ccc(C(=O)NCc2nc(-c3cccs3)no2)c(Cl)c1
InChIInChI=1S/C15H12ClN3O2S/c1-9-4-5-10(11(16)7-9)15(20)17-8-13-18-14(19-21-13)12-3-2-6-22-12/h2-7H,8H2,1H3,(H,17,20)
InChIKeyWEDRYMYWBFBNJF-UHFFFAOYSA-N
XLogP3.69
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.80
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-chloro-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]benzamide
CID 93173363
2-chloro-5-methylsulfanyl-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]benzamide
CID 51127210
3-bromo-5-chloro-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]benzamide
CID 110632140
2,3,4-trifluoro-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]benzamide
CID 110293449
2-propan-2-ylsulfanyl-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]benzamide
CID 99842394
3-methyl-4-nitro-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]benzamide
CID 92801391
4-fluoro-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]benzamide
CID 27261087
2,4-dichloro-N-[2-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]benzamide
CID 90563708
4-methyl-N-[2-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)ethyl]benzamide
CID 51064599
6-chloro-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxamide
CID 71883745
4-cyano-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]benzamide
CID 51096359
2-(3,5-dimethylphenoxy)-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]propanamide
CID 132653876

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-methyl-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]benzamide?
The IUPAC name of 2-chloro-4-methyl-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]benzamide (CID 27262020) is 2-chloro-4-methyl-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]benzamide.
What is the SMILES notation for 2-chloro-4-methyl-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]benzamide?
The canonical SMILES for 2-chloro-4-methyl-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]benzamide is Cc1ccc(C(=O)NCc2nc(-c3cccs3)no2)c(Cl)c1.
What is the InChIKey of 2-chloro-4-methyl-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]benzamide?
The InChIKey is WEDRYMYWBFBNJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClN3O2S/c1-9-4-5-10(11(16)7-9)15(20)17-8-13-18-14(19-21-13)12-3-2-6-22-12/h2-7H,8H2,1H3,(H,17,20).
What are the key properties of 2-chloro-4-methyl-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]benzamide?
2-chloro-4-methyl-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]benzamide has a molecular weight of 333.80 g/mol, XLogP of 3.69, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-methyl-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]benzamide is sourced from PubChem (CID 27262020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).