(3S)-3-[4-[(5-methyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]-1-phenylpyrrolidin-2-one

C19H24N4O2 — CID 124505781

IUPAC(3S)-3-[4-[(5-methyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]-1-phenylpyrrolidin-2-one
SMILESCc1cnc(CN2CCN([C@H]3CCN(c4ccccc4)C3=O)CC2)o1
InChIInChI=1S/C19H24N4O2/c1-15-13-20-18(25-15)14-21-9-11-22(12-10-21)17-7-8-23(19(17)24)16-5-3-2-4-6-16/h2-6,13,17H,7-12,14H2,1H3/t17-/m0/s1
InChIKeyNJDFLKPASLKTQR-KRWDZBQOSA-N
MW340.43 g/mol
LogP1.91
Rot. Bonds4

About (3S)-3-[4-[(5-methyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]-1-phenylpyrrolidin-2-one

(3S)-3-[4-[(5-methyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]-1-phenylpyrrolidin-2-one (PubChem CID 124505781) has the molecular formula C19H24N4O2 and a molecular weight of 340.43 g/mol. Its IUPAC name is (3S)-3-[4-[(5-methyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]-1-phenylpyrrolidin-2-one.

Molecular Properties

Compound Name(3S)-3-[4-[(5-methyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]-1-phenylpyrrolidin-2-one
PubChem CID124505781
Molecular FormulaC19H24N4O2
Molecular Weight340.43 g/mol
Exact Mass340.19
IUPAC Name(3S)-3-[4-[(5-methyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]-1-phenylpyrrolidin-2-one
SMILESCc1cnc(CN2CCN([C@H]3CCN(c4ccccc4)C3=O)CC2)o1
InChIInChI=1S/C19H24N4O2/c1-15-13-20-18(25-15)14-21-9-11-22(12-10-21)17-7-8-23(19(17)24)16-5-3-2-4-6-16/h2-6,13,17H,7-12,14H2,1H3/t17-/m0/s1
InChIKeyNJDFLKPASLKTQR-KRWDZBQOSA-N
XLogP1.91
TPSA52.82 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3S)-3-[4-[(5-methyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]-1-phenylpyrrolidin-2-one?
The IUPAC name of (3S)-3-[4-[(5-methyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]-1-phenylpyrrolidin-2-one (CID 124505781) is (3S)-3-[4-[(5-methyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]-1-phenylpyrrolidin-2-one.
What is the SMILES notation for (3S)-3-[4-[(5-methyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]-1-phenylpyrrolidin-2-one?
The canonical SMILES for (3S)-3-[4-[(5-methyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]-1-phenylpyrrolidin-2-one is Cc1cnc(CN2CCN([C@H]3CCN(c4ccccc4)C3=O)CC2)o1.
What is the InChIKey of (3S)-3-[4-[(5-methyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]-1-phenylpyrrolidin-2-one?
The InChIKey is NJDFLKPASLKTQR-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H24N4O2/c1-15-13-20-18(25-15)14-21-9-11-22(12-10-21)17-7-8-23(19(17)24)16-5-3-2-4-6-16/h2-6,13,17H,7-12,14H2,1H3/t17-/m0/s1.
What are the key properties of (3S)-3-[4-[(5-methyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]-1-phenylpyrrolidin-2-one?
(3S)-3-[4-[(5-methyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]-1-phenylpyrrolidin-2-one has a molecular weight of 340.43 g/mol, XLogP of 1.91, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-[4-[(5-methyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]-1-phenylpyrrolidin-2-one is sourced from PubChem (CID 124505781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).