5-[3-(5-chlorothiophen-2-yl)-1,2,4-oxadiazol-5-yl]-3H-1,3-benzoxazol-2-one

C13H6ClN3O3S — CID 167775250

IUPAC5-[3-(5-chlorothiophen-2-yl)-1,2,4-oxadiazol-5-yl]-3H-1,3-benzoxazol-2-one
SMILESO=c1[nH]c2cc(-c3nc(-c4ccc(Cl)s4)no3)ccc2o1
InChIInChI=1S/C13H6ClN3O3S/c14-10-4-3-9(21-10)11-16-12(20-17-11)6-1-2-8-7(5-6)15-13(18)19-8/h1-5H,(H,15,18)
InChIKeyGTCTXUIVNASVFD-UHFFFAOYSA-N
MW319.73 g/mol
LogP3.55
Rot. Bonds2

About 5-[3-(5-chlorothiophen-2-yl)-1,2,4-oxadiazol-5-yl]-3H-1,3-benzoxazol-2-one

5-[3-(5-chlorothiophen-2-yl)-1,2,4-oxadiazol-5-yl]-3H-1,3-benzoxazol-2-one (PubChem CID 167775250) has the molecular formula C13H6ClN3O3S and a molecular weight of 319.73 g/mol. Its IUPAC name is 5-[3-(5-chlorothiophen-2-yl)-1,2,4-oxadiazol-5-yl]-3H-1,3-benzoxazol-2-one.

Molecular Properties

Compound Name5-[3-(5-chlorothiophen-2-yl)-1,2,4-oxadiazol-5-yl]-3H-1,3-benzoxazol-2-one
PubChem CID167775250
Molecular FormulaC13H6ClN3O3S
Molecular Weight319.73 g/mol
Exact Mass318.98
IUPAC Name5-[3-(5-chlorothiophen-2-yl)-1,2,4-oxadiazol-5-yl]-3H-1,3-benzoxazol-2-one
SMILESO=c1[nH]c2cc(-c3nc(-c4ccc(Cl)s4)no3)ccc2o1
InChIInChI=1S/C13H6ClN3O3S/c14-10-4-3-9(21-10)11-16-12(20-17-11)6-1-2-8-7(5-6)15-13(18)19-8/h1-5H,(H,15,18)
InChIKeyGTCTXUIVNASVFD-UHFFFAOYSA-N
XLogP3.55
TPSA84.92 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.73
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5-[3-(5-chlorothiophen-2-yl)-1,2,4-oxadiazol-5-yl]-3H-1,3-benzoxazol-2-one with MolForge

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Related Compounds

5-(5-pyridin-3-yl-1,2,4-oxadiazol-3-yl)-3H-1,3-benzoxazol-2-one
CID 44545185
5-chloro-3-(5-chlorothiophen-2-yl)-1,2,4-oxadiazole
CID 60984120
5-methyl-4-(2-oxo-3H-1,3-benzoxazol-5-yl)-1,3-thiazole-2-carbaldehyde
CID 116867302
5-(5-hydrazinyl-4-methyl-1,3-thiazol-2-yl)-3H-1,3-benzoxazol-2-one
CID 116887829
1-[3-(5-chlorothiophen-2-yl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 115081208
5-chloro-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]thiophene-2-sulfonamide
CID 110786815
5-[2-(chloromethyl)-1H-imidazol-5-yl]-3H-1,3-benzoxazol-2-one
CID 116878109
5-[[(1S)-1-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)ethyl]amino]-3H-1,3-benzoxazol-2-one
CID 95299328
5-[2-(1-hydroxyethyl)-1,3-thiazol-4-yl]-3H-1,3-benzoxazol-2-one
CID 116867590
5-(2,5-dimethylpyrazol-3-yl)-3H-1,3-benzoxazol-2-one
CID 116856803
N-[4-(2-oxo-3H-1,3-benzoxazol-5-yl)-1,3-thiazol-2-yl]acetamide
CID 39072446
5-amino-3H-1,3-benzoxazol-2-one
CID 26856

Frequently Asked Questions

What is the IUPAC name of 5-[3-(5-chlorothiophen-2-yl)-1,2,4-oxadiazol-5-yl]-3H-1,3-benzoxazol-2-one?
The IUPAC name of 5-[3-(5-chlorothiophen-2-yl)-1,2,4-oxadiazol-5-yl]-3H-1,3-benzoxazol-2-one (CID 167775250) is 5-[3-(5-chlorothiophen-2-yl)-1,2,4-oxadiazol-5-yl]-3H-1,3-benzoxazol-2-one.
What is the SMILES notation for 5-[3-(5-chlorothiophen-2-yl)-1,2,4-oxadiazol-5-yl]-3H-1,3-benzoxazol-2-one?
The canonical SMILES for 5-[3-(5-chlorothiophen-2-yl)-1,2,4-oxadiazol-5-yl]-3H-1,3-benzoxazol-2-one is O=c1[nH]c2cc(-c3nc(-c4ccc(Cl)s4)no3)ccc2o1.
What is the InChIKey of 5-[3-(5-chlorothiophen-2-yl)-1,2,4-oxadiazol-5-yl]-3H-1,3-benzoxazol-2-one?
The InChIKey is GTCTXUIVNASVFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H6ClN3O3S/c14-10-4-3-9(21-10)11-16-12(20-17-11)6-1-2-8-7(5-6)15-13(18)19-8/h1-5H,(H,15,18).
What are the key properties of 5-[3-(5-chlorothiophen-2-yl)-1,2,4-oxadiazol-5-yl]-3H-1,3-benzoxazol-2-one?
5-[3-(5-chlorothiophen-2-yl)-1,2,4-oxadiazol-5-yl]-3H-1,3-benzoxazol-2-one has a molecular weight of 319.73 g/mol, XLogP of 3.55, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(5-chlorothiophen-2-yl)-1,2,4-oxadiazol-5-yl]-3H-1,3-benzoxazol-2-one is sourced from PubChem (CID 167775250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).