3-(5-methyl-3-propan-2-yloxythiophen-2-yl)-4H-1,2,4-oxadiazol-5-one

C10H12N2O3S — CID 142473032

IUPAC3-(5-methyl-3-propan-2-yloxythiophen-2-yl)-4H-1,2,4-oxadiazol-5-one
SMILESCc1cc(OC(C)C)c(-c2noc(=O)[nH]2)s1
InChIInChI=1S/C10H12N2O3S/c1-5(2)14-7-4-6(3)16-8(7)9-11-10(13)15-12-9/h4-5H,1-3H3,(H,11,12,13)
InChIKeyRYXFTCDPGMGGIG-UHFFFAOYSA-N
MW240.28 g/mol
LogP2.19
Rot. Bonds3

About 3-(5-methyl-3-propan-2-yloxythiophen-2-yl)-4H-1,2,4-oxadiazol-5-one

3-(5-methyl-3-propan-2-yloxythiophen-2-yl)-4H-1,2,4-oxadiazol-5-one (PubChem CID 142473032) has the molecular formula C10H12N2O3S and a molecular weight of 240.28 g/mol. Its IUPAC name is 3-(5-methyl-3-propan-2-yloxythiophen-2-yl)-4H-1,2,4-oxadiazol-5-one.

Molecular Properties

Compound Name3-(5-methyl-3-propan-2-yloxythiophen-2-yl)-4H-1,2,4-oxadiazol-5-one
PubChem CID142473032
Molecular FormulaC10H12N2O3S
Molecular Weight240.28 g/mol
Exact Mass240.06
IUPAC Name3-(5-methyl-3-propan-2-yloxythiophen-2-yl)-4H-1,2,4-oxadiazol-5-one
SMILESCc1cc(OC(C)C)c(-c2noc(=O)[nH]2)s1
InChIInChI=1S/C10H12N2O3S/c1-5(2)14-7-4-6(3)16-8(7)9-11-10(13)15-12-9/h4-5H,1-3H3,(H,11,12,13)
InChIKeyRYXFTCDPGMGGIG-UHFFFAOYSA-N
XLogP2.19
TPSA68.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.28
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(5-methyl-3-propan-2-yloxythiophen-2-yl)-4H-1,2,4-oxadiazol-5-one?
The IUPAC name of 3-(5-methyl-3-propan-2-yloxythiophen-2-yl)-4H-1,2,4-oxadiazol-5-one (CID 142473032) is 3-(5-methyl-3-propan-2-yloxythiophen-2-yl)-4H-1,2,4-oxadiazol-5-one.
What is the SMILES notation for 3-(5-methyl-3-propan-2-yloxythiophen-2-yl)-4H-1,2,4-oxadiazol-5-one?
The canonical SMILES for 3-(5-methyl-3-propan-2-yloxythiophen-2-yl)-4H-1,2,4-oxadiazol-5-one is Cc1cc(OC(C)C)c(-c2noc(=O)[nH]2)s1.
What is the InChIKey of 3-(5-methyl-3-propan-2-yloxythiophen-2-yl)-4H-1,2,4-oxadiazol-5-one?
The InChIKey is RYXFTCDPGMGGIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O3S/c1-5(2)14-7-4-6(3)16-8(7)9-11-10(13)15-12-9/h4-5H,1-3H3,(H,11,12,13).
What are the key properties of 3-(5-methyl-3-propan-2-yloxythiophen-2-yl)-4H-1,2,4-oxadiazol-5-one?
3-(5-methyl-3-propan-2-yloxythiophen-2-yl)-4H-1,2,4-oxadiazol-5-one has a molecular weight of 240.28 g/mol, XLogP of 2.19, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-methyl-3-propan-2-yloxythiophen-2-yl)-4H-1,2,4-oxadiazol-5-one is sourced from PubChem (CID 142473032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).