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

C13H21N3O2 — CID 99823808

IUPAC(3S)-3-methyl-4-[(5-methyl-1,3-oxazol-2-yl)methyl]-3-propylpiperazin-2-one
SMILESCCC[C@@]1(C)C(=O)NCCN1Cc1ncc(C)o1
InChIInChI=1S/C13H21N3O2/c1-4-5-13(3)12(17)14-6-7-16(13)9-11-15-8-10(2)18-11/h8H,4-7,9H2,1-3H3,(H,14,17)/t13-/m0/s1
InChIKeyOEHIBMGFQNITPZ-ZDUSSCGKSA-N
MW251.33 g/mol
LogP1.47
Rot. Bonds4

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

(3S)-3-methyl-4-[(5-methyl-1,3-oxazol-2-yl)methyl]-3-propylpiperazin-2-one (PubChem CID 99823808) has the molecular formula C13H21N3O2 and a molecular weight of 251.33 g/mol. Its IUPAC name is (3S)-3-methyl-4-[(5-methyl-1,3-oxazol-2-yl)methyl]-3-propylpiperazin-2-one.

Molecular Properties

Compound Name(3S)-3-methyl-4-[(5-methyl-1,3-oxazol-2-yl)methyl]-3-propylpiperazin-2-one
PubChem CID99823808
Molecular FormulaC13H21N3O2
Molecular Weight251.33 g/mol
Exact Mass251.16
IUPAC Name(3S)-3-methyl-4-[(5-methyl-1,3-oxazol-2-yl)methyl]-3-propylpiperazin-2-one
SMILESCCC[C@@]1(C)C(=O)NCCN1Cc1ncc(C)o1
InChIInChI=1S/C13H21N3O2/c1-4-5-13(3)12(17)14-6-7-16(13)9-11-15-8-10(2)18-11/h8H,4-7,9H2,1-3H3,(H,14,17)/t13-/m0/s1
InChIKeyOEHIBMGFQNITPZ-ZDUSSCGKSA-N
XLogP1.47
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3S)-3-methyl-4-[(5-methyl-1,3-oxazol-2-yl)methyl]-3-propylpiperazin-2-one?
The IUPAC name of (3S)-3-methyl-4-[(5-methyl-1,3-oxazol-2-yl)methyl]-3-propylpiperazin-2-one (CID 99823808) is (3S)-3-methyl-4-[(5-methyl-1,3-oxazol-2-yl)methyl]-3-propylpiperazin-2-one.
What is the SMILES notation for (3S)-3-methyl-4-[(5-methyl-1,3-oxazol-2-yl)methyl]-3-propylpiperazin-2-one?
The canonical SMILES for (3S)-3-methyl-4-[(5-methyl-1,3-oxazol-2-yl)methyl]-3-propylpiperazin-2-one is CCC[C@@]1(C)C(=O)NCCN1Cc1ncc(C)o1.
What is the InChIKey of (3S)-3-methyl-4-[(5-methyl-1,3-oxazol-2-yl)methyl]-3-propylpiperazin-2-one?
The InChIKey is OEHIBMGFQNITPZ-ZDUSSCGKSA-N. The full InChI is InChI=1S/C13H21N3O2/c1-4-5-13(3)12(17)14-6-7-16(13)9-11-15-8-10(2)18-11/h8H,4-7,9H2,1-3H3,(H,14,17)/t13-/m0/s1.
What are the key properties of (3S)-3-methyl-4-[(5-methyl-1,3-oxazol-2-yl)methyl]-3-propylpiperazin-2-one?
(3S)-3-methyl-4-[(5-methyl-1,3-oxazol-2-yl)methyl]-3-propylpiperazin-2-one has a molecular weight of 251.33 g/mol, XLogP of 1.47, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-methyl-4-[(5-methyl-1,3-oxazol-2-yl)methyl]-3-propylpiperazin-2-one is sourced from PubChem (CID 99823808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).