(4S)-4-[3-[2-(2-methoxyphenyl)propan-2-yl]-1,2,4-oxadiazol-5-yl]-4-methylpiperidin-2-one

C18H23N3O3 — CID 164636409

IUPAC(4S)-4-[3-[2-(2-methoxyphenyl)propan-2-yl]-1,2,4-oxadiazol-5-yl]-4-methylpiperidin-2-one
SMILESCOc1ccccc1C(C)(C)c1noc([C@@]2(C)CCNC(=O)C2)n1
InChIInChI=1S/C18H23N3O3/c1-17(2,12-7-5-6-8-13(12)23-4)15-20-16(24-21-15)18(3)9-10-19-14(22)11-18/h5-8H,9-11H2,1-4H3,(H,19,22)/t18-/m0/s1
InChIKeyHSPHZDORHSFRET-SFHVURJKSA-N
MW329.40 g/mol
LogP2.57
Rot. Bonds4

About (4S)-4-[3-[2-(2-methoxyphenyl)propan-2-yl]-1,2,4-oxadiazol-5-yl]-4-methylpiperidin-2-one

(4S)-4-[3-[2-(2-methoxyphenyl)propan-2-yl]-1,2,4-oxadiazol-5-yl]-4-methylpiperidin-2-one (PubChem CID 164636409) has the molecular formula C18H23N3O3 and a molecular weight of 329.40 g/mol. Its IUPAC name is (4S)-4-[3-[2-(2-methoxyphenyl)propan-2-yl]-1,2,4-oxadiazol-5-yl]-4-methylpiperidin-2-one.

Molecular Properties

Compound Name(4S)-4-[3-[2-(2-methoxyphenyl)propan-2-yl]-1,2,4-oxadiazol-5-yl]-4-methylpiperidin-2-one
PubChem CID164636409
Molecular FormulaC18H23N3O3
Molecular Weight329.40 g/mol
Exact Mass329.17
IUPAC Name(4S)-4-[3-[2-(2-methoxyphenyl)propan-2-yl]-1,2,4-oxadiazol-5-yl]-4-methylpiperidin-2-one
SMILESCOc1ccccc1C(C)(C)c1noc([C@@]2(C)CCNC(=O)C2)n1
InChIInChI=1S/C18H23N3O3/c1-17(2,12-7-5-6-8-13(12)23-4)15-20-16(24-21-15)18(3)9-10-19-14(22)11-18/h5-8H,9-11H2,1-4H3,(H,19,22)/t18-/m0/s1
InChIKeyHSPHZDORHSFRET-SFHVURJKSA-N
XLogP2.57
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (4S)-4-[3-[2-(2-methoxyphenyl)propan-2-yl]-1,2,4-oxadiazol-5-yl]-4-methylpiperidin-2-one?
The IUPAC name of (4S)-4-[3-[2-(2-methoxyphenyl)propan-2-yl]-1,2,4-oxadiazol-5-yl]-4-methylpiperidin-2-one (CID 164636409) is (4S)-4-[3-[2-(2-methoxyphenyl)propan-2-yl]-1,2,4-oxadiazol-5-yl]-4-methylpiperidin-2-one.
What is the SMILES notation for (4S)-4-[3-[2-(2-methoxyphenyl)propan-2-yl]-1,2,4-oxadiazol-5-yl]-4-methylpiperidin-2-one?
The canonical SMILES for (4S)-4-[3-[2-(2-methoxyphenyl)propan-2-yl]-1,2,4-oxadiazol-5-yl]-4-methylpiperidin-2-one is COc1ccccc1C(C)(C)c1noc([C@@]2(C)CCNC(=O)C2)n1.
What is the InChIKey of (4S)-4-[3-[2-(2-methoxyphenyl)propan-2-yl]-1,2,4-oxadiazol-5-yl]-4-methylpiperidin-2-one?
The InChIKey is HSPHZDORHSFRET-SFHVURJKSA-N. The full InChI is InChI=1S/C18H23N3O3/c1-17(2,12-7-5-6-8-13(12)23-4)15-20-16(24-21-15)18(3)9-10-19-14(22)11-18/h5-8H,9-11H2,1-4H3,(H,19,22)/t18-/m0/s1.
What are the key properties of (4S)-4-[3-[2-(2-methoxyphenyl)propan-2-yl]-1,2,4-oxadiazol-5-yl]-4-methylpiperidin-2-one?
(4S)-4-[3-[2-(2-methoxyphenyl)propan-2-yl]-1,2,4-oxadiazol-5-yl]-4-methylpiperidin-2-one has a molecular weight of 329.40 g/mol, XLogP of 2.57, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-[3-[2-(2-methoxyphenyl)propan-2-yl]-1,2,4-oxadiazol-5-yl]-4-methylpiperidin-2-one is sourced from PubChem (CID 164636409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).