1-acetyl-5-(5-methyl-4-pyridin-4-yl-1,3-oxazol-2-yl)pyrrolidin-2-one

C15H15N3O3 — CID 11536532

IUPAC1-acetyl-5-(5-methyl-4-pyridin-4-yl-1,3-oxazol-2-yl)pyrrolidin-2-one
SMILESCC(=O)N1C(=O)CCC1c1nc(-c2ccncc2)c(C)o1
InChIInChI=1S/C15H15N3O3/c1-9-14(11-5-7-16-8-6-11)17-15(21-9)12-3-4-13(20)18(12)10(2)19/h5-8,12H,3-4H2,1-2H3
InChIKeyBOTUMGMXLDDRPC-UHFFFAOYSA-N
MW285.30 g/mol
LogP2.26
Rot. Bonds2

About 1-acetyl-5-(5-methyl-4-pyridin-4-yl-1,3-oxazol-2-yl)pyrrolidin-2-one

1-acetyl-5-(5-methyl-4-pyridin-4-yl-1,3-oxazol-2-yl)pyrrolidin-2-one (PubChem CID 11536532) has the molecular formula C15H15N3O3 and a molecular weight of 285.30 g/mol. Its IUPAC name is 1-acetyl-5-(5-methyl-4-pyridin-4-yl-1,3-oxazol-2-yl)pyrrolidin-2-one.

Molecular Properties

Compound Name1-acetyl-5-(5-methyl-4-pyridin-4-yl-1,3-oxazol-2-yl)pyrrolidin-2-one
PubChem CID11536532
Molecular FormulaC15H15N3O3
Molecular Weight285.30 g/mol
Exact Mass285.11
IUPAC Name1-acetyl-5-(5-methyl-4-pyridin-4-yl-1,3-oxazol-2-yl)pyrrolidin-2-one
SMILESCC(=O)N1C(=O)CCC1c1nc(-c2ccncc2)c(C)o1
InChIInChI=1S/C15H15N3O3/c1-9-14(11-5-7-16-8-6-11)17-15(21-9)12-3-4-13(20)18(12)10(2)19/h5-8,12H,3-4H2,1-2H3
InChIKeyBOTUMGMXLDDRPC-UHFFFAOYSA-N
XLogP2.26
TPSA76.30 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.30
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-acetyl-5-(5-methyl-4-pyridin-4-yl-1,3-oxazol-2-yl)pyrrolidin-2-one?
The IUPAC name of 1-acetyl-5-(5-methyl-4-pyridin-4-yl-1,3-oxazol-2-yl)pyrrolidin-2-one (CID 11536532) is 1-acetyl-5-(5-methyl-4-pyridin-4-yl-1,3-oxazol-2-yl)pyrrolidin-2-one.
What is the SMILES notation for 1-acetyl-5-(5-methyl-4-pyridin-4-yl-1,3-oxazol-2-yl)pyrrolidin-2-one?
The canonical SMILES for 1-acetyl-5-(5-methyl-4-pyridin-4-yl-1,3-oxazol-2-yl)pyrrolidin-2-one is CC(=O)N1C(=O)CCC1c1nc(-c2ccncc2)c(C)o1.
What is the InChIKey of 1-acetyl-5-(5-methyl-4-pyridin-4-yl-1,3-oxazol-2-yl)pyrrolidin-2-one?
The InChIKey is BOTUMGMXLDDRPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O3/c1-9-14(11-5-7-16-8-6-11)17-15(21-9)12-3-4-13(20)18(12)10(2)19/h5-8,12H,3-4H2,1-2H3.
What are the key properties of 1-acetyl-5-(5-methyl-4-pyridin-4-yl-1,3-oxazol-2-yl)pyrrolidin-2-one?
1-acetyl-5-(5-methyl-4-pyridin-4-yl-1,3-oxazol-2-yl)pyrrolidin-2-one has a molecular weight of 285.30 g/mol, XLogP of 2.26, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-5-(5-methyl-4-pyridin-4-yl-1,3-oxazol-2-yl)pyrrolidin-2-one is sourced from PubChem (CID 11536532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).