3-[1-(4-methylphenyl)-2-oxopyrrolidin-3-yl]-5-propyl-1,3,4-oxadiazol-2-one

C16H19N3O3 — CID 75381242

IUPAC3-[1-(4-methylphenyl)-2-oxopyrrolidin-3-yl]-5-propyl-1,3,4-oxadiazol-2-one
SMILESCCCc1nn(C2CCN(c3ccc(C)cc3)C2=O)c(=O)o1
InChIInChI=1S/C16H19N3O3/c1-3-4-14-17-19(16(21)22-14)13-9-10-18(15(13)20)12-7-5-11(2)6-8-12/h5-8,13H,3-4,9-10H2,1-2H3
InChIKeyUQCFTMVYHFDTBV-UHFFFAOYSA-N
MW301.35 g/mol
LogP2.08
Rot. Bonds4

About 3-[1-(4-methylphenyl)-2-oxopyrrolidin-3-yl]-5-propyl-1,3,4-oxadiazol-2-one

3-[1-(4-methylphenyl)-2-oxopyrrolidin-3-yl]-5-propyl-1,3,4-oxadiazol-2-one (PubChem CID 75381242) has the molecular formula C16H19N3O3 and a molecular weight of 301.35 g/mol. Its IUPAC name is 3-[1-(4-methylphenyl)-2-oxopyrrolidin-3-yl]-5-propyl-1,3,4-oxadiazol-2-one.

Molecular Properties

Compound Name3-[1-(4-methylphenyl)-2-oxopyrrolidin-3-yl]-5-propyl-1,3,4-oxadiazol-2-one
PubChem CID75381242
Molecular FormulaC16H19N3O3
Molecular Weight301.35 g/mol
Exact Mass301.14
IUPAC Name3-[1-(4-methylphenyl)-2-oxopyrrolidin-3-yl]-5-propyl-1,3,4-oxadiazol-2-one
SMILESCCCc1nn(C2CCN(c3ccc(C)cc3)C2=O)c(=O)o1
InChIInChI=1S/C16H19N3O3/c1-3-4-14-17-19(16(21)22-14)13-9-10-18(15(13)20)12-7-5-11(2)6-8-12/h5-8,13H,3-4,9-10H2,1-2H3
InChIKeyUQCFTMVYHFDTBV-UHFFFAOYSA-N
XLogP2.08
TPSA68.34 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[1-(4-methylphenyl)-2-oxopyrrolidin-3-yl]-5-propyl-1,3,4-oxadiazol-2-one?
The IUPAC name of 3-[1-(4-methylphenyl)-2-oxopyrrolidin-3-yl]-5-propyl-1,3,4-oxadiazol-2-one (CID 75381242) is 3-[1-(4-methylphenyl)-2-oxopyrrolidin-3-yl]-5-propyl-1,3,4-oxadiazol-2-one.
What is the SMILES notation for 3-[1-(4-methylphenyl)-2-oxopyrrolidin-3-yl]-5-propyl-1,3,4-oxadiazol-2-one?
The canonical SMILES for 3-[1-(4-methylphenyl)-2-oxopyrrolidin-3-yl]-5-propyl-1,3,4-oxadiazol-2-one is CCCc1nn(C2CCN(c3ccc(C)cc3)C2=O)c(=O)o1.
What is the InChIKey of 3-[1-(4-methylphenyl)-2-oxopyrrolidin-3-yl]-5-propyl-1,3,4-oxadiazol-2-one?
The InChIKey is UQCFTMVYHFDTBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O3/c1-3-4-14-17-19(16(21)22-14)13-9-10-18(15(13)20)12-7-5-11(2)6-8-12/h5-8,13H,3-4,9-10H2,1-2H3.
What are the key properties of 3-[1-(4-methylphenyl)-2-oxopyrrolidin-3-yl]-5-propyl-1,3,4-oxadiazol-2-one?
3-[1-(4-methylphenyl)-2-oxopyrrolidin-3-yl]-5-propyl-1,3,4-oxadiazol-2-one has a molecular weight of 301.35 g/mol, XLogP of 2.08, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(4-methylphenyl)-2-oxopyrrolidin-3-yl]-5-propyl-1,3,4-oxadiazol-2-one is sourced from PubChem (CID 75381242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).