3-methyl-4-[1-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]pyrrolidin-2-yl]-1,2,5-oxadiazole

C16H18N4O2S — CID 45168299

IUPAC3-methyl-4-[1-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]pyrrolidin-2-yl]-1,2,5-oxadiazole
SMILESCc1nonc1C1CCCN1Cc1nc(-c2cccs2)oc1C
InChIInChI=1S/C16H18N4O2S/c1-10-15(19-22-18-10)13-5-3-7-20(13)9-12-11(2)21-16(17-12)14-6-4-8-23-14/h4,6,8,13H,3,5,7,9H2,1-2H3
InChIKeyLEIQWHJYWNFOSG-UHFFFAOYSA-N
MW330.41 g/mol
LogP3.74
Rot. Bonds4

About 3-methyl-4-[1-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]pyrrolidin-2-yl]-1,2,5-oxadiazole

3-methyl-4-[1-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]pyrrolidin-2-yl]-1,2,5-oxadiazole (PubChem CID 45168299) has the molecular formula C16H18N4O2S and a molecular weight of 330.41 g/mol. Its IUPAC name is 3-methyl-4-[1-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]pyrrolidin-2-yl]-1,2,5-oxadiazole.

Molecular Properties

Compound Name3-methyl-4-[1-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]pyrrolidin-2-yl]-1,2,5-oxadiazole
PubChem CID45168299
Molecular FormulaC16H18N4O2S
Molecular Weight330.41 g/mol
Exact Mass330.12
IUPAC Name3-methyl-4-[1-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]pyrrolidin-2-yl]-1,2,5-oxadiazole
SMILESCc1nonc1C1CCCN1Cc1nc(-c2cccs2)oc1C
InChIInChI=1S/C16H18N4O2S/c1-10-15(19-22-18-10)13-5-3-7-20(13)9-12-11(2)21-16(17-12)14-6-4-8-23-14/h4,6,8,13H,3,5,7,9H2,1-2H3
InChIKeyLEIQWHJYWNFOSG-UHFFFAOYSA-N
XLogP3.74
TPSA68.19 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.41
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-[1-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]pyrrolidin-2-yl]-1,2,5-oxadiazole?
The IUPAC name of 3-methyl-4-[1-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]pyrrolidin-2-yl]-1,2,5-oxadiazole (CID 45168299) is 3-methyl-4-[1-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]pyrrolidin-2-yl]-1,2,5-oxadiazole.
What is the SMILES notation for 3-methyl-4-[1-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]pyrrolidin-2-yl]-1,2,5-oxadiazole?
The canonical SMILES for 3-methyl-4-[1-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]pyrrolidin-2-yl]-1,2,5-oxadiazole is Cc1nonc1C1CCCN1Cc1nc(-c2cccs2)oc1C.
What is the InChIKey of 3-methyl-4-[1-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]pyrrolidin-2-yl]-1,2,5-oxadiazole?
The InChIKey is LEIQWHJYWNFOSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O2S/c1-10-15(19-22-18-10)13-5-3-7-20(13)9-12-11(2)21-16(17-12)14-6-4-8-23-14/h4,6,8,13H,3,5,7,9H2,1-2H3.
What are the key properties of 3-methyl-4-[1-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]pyrrolidin-2-yl]-1,2,5-oxadiazole?
3-methyl-4-[1-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]pyrrolidin-2-yl]-1,2,5-oxadiazole has a molecular weight of 330.41 g/mol, XLogP of 3.74, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-[1-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]pyrrolidin-2-yl]-1,2,5-oxadiazole is sourced from PubChem (CID 45168299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).