3-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]-1,3-benzoxazol-2-one

C14H9N3O3S — CID 17392838

IUPAC3-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]-1,3-benzoxazol-2-one
SMILESO=c1oc2ccccc2n1Cc1nc(-c2ccsc2)no1
InChIInChI=1S/C14H9N3O3S/c18-14-17(10-3-1-2-4-11(10)19-14)7-12-15-13(16-20-12)9-5-6-21-8-9/h1-6,8H,7H2
InChIKeyOZGBDWHHJNFBMR-UHFFFAOYSA-N
MW299.31 g/mol
LogP2.75
Rot. Bonds3

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

3-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]-1,3-benzoxazol-2-one (PubChem CID 17392838) has the molecular formula C14H9N3O3S and a molecular weight of 299.31 g/mol. Its IUPAC name is 3-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]-1,3-benzoxazol-2-one.

Molecular Properties

Compound Name3-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]-1,3-benzoxazol-2-one
PubChem CID17392838
Molecular FormulaC14H9N3O3S
Molecular Weight299.31 g/mol
Exact Mass299.04
IUPAC Name3-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]-1,3-benzoxazol-2-one
SMILESO=c1oc2ccccc2n1Cc1nc(-c2ccsc2)no1
InChIInChI=1S/C14H9N3O3S/c18-14-17(10-3-1-2-4-11(10)19-14)7-12-15-13(16-20-12)9-5-6-21-8-9/h1-6,8H,7H2
InChIKeyOZGBDWHHJNFBMR-UHFFFAOYSA-N
XLogP2.75
TPSA74.06 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.31
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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

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Related Compounds

5-[[4-(pyridin-2-ylmethyl)piperazin-1-yl]methyl]-3-thiophen-3-yl-1,2,4-oxadiazole
CID 33034311
2-[4-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]ethanol
CID 47010444
3-[[3-[(3R)-oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-1,3-benzoxazol-2-one
CID 97434445
3-[[3-(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)-1,2,4-oxadiazol-5-yl]methyl]-1,3-benzoxazol-2-one;hydrochloride
CID 166597718
[4-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]-(triazolo[1,5-a]pyridin-3-yl)methanone
CID 154845376
1-phenyl-2-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)ethanamine
CID 43627790
1-propyl-3-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]imidazolidine-2,4,5-trione
CID 8627216
5-[[4-[[(2S)-oxolan-2-yl]methyl]piperazin-1-yl]methyl]-3-thiophen-3-yl-1,2,4-oxadiazole
CID 94897731
5-(2-chloroethyl)-3-thiophen-3-yl-1,2,4-oxadiazole
CID 43627759
3-[3-(3-imidazo[1,5-a]pyridin-7-yl-1,2,4-oxadiazol-5-yl)propyl]-1,3-benzoxazol-2-one
CID 166234766
(R)-phenyl-[1-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]methanol
CID 51931966
1-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]pyrazol-4-amine
CID 61284572

Frequently Asked Questions

What is the IUPAC name of 3-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]-1,3-benzoxazol-2-one?
The IUPAC name of 3-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]-1,3-benzoxazol-2-one (CID 17392838) is 3-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]-1,3-benzoxazol-2-one.
What is the SMILES notation for 3-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]-1,3-benzoxazol-2-one?
The canonical SMILES for 3-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]-1,3-benzoxazol-2-one is O=c1oc2ccccc2n1Cc1nc(-c2ccsc2)no1.
What is the InChIKey of 3-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]-1,3-benzoxazol-2-one?
The InChIKey is OZGBDWHHJNFBMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9N3O3S/c18-14-17(10-3-1-2-4-11(10)19-14)7-12-15-13(16-20-12)9-5-6-21-8-9/h1-6,8H,7H2.
What are the key properties of 3-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]-1,3-benzoxazol-2-one?
3-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]-1,3-benzoxazol-2-one has a molecular weight of 299.31 g/mol, XLogP of 2.75, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]-1,3-benzoxazol-2-one is sourced from PubChem (CID 17392838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).