7-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-3-methyl-1,3-benzoxazol-2-one

C14H19N3O2 — CID 58655897

IUPAC7-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-3-methyl-1,3-benzoxazol-2-one
SMILESC[C@@H]1CN(c2cccc3c2oc(=O)n3C)C[C@H](C)N1
InChIInChI=1S/C14H19N3O2/c1-9-7-17(8-10(2)15-9)12-6-4-5-11-13(12)19-14(18)16(11)3/h4-6,9-10,15H,7-8H2,1-3H3/t9-,10+
InChIKeyFJFZFGOCOYYUFS-AOOOYVTPSA-N
MW261.32 g/mol
LogP1.32
Rot. Bonds1

About 7-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-3-methyl-1,3-benzoxazol-2-one

7-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-3-methyl-1,3-benzoxazol-2-one (PubChem CID 58655897) has the molecular formula C14H19N3O2 and a molecular weight of 261.32 g/mol. Its IUPAC name is 7-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-3-methyl-1,3-benzoxazol-2-one.

Molecular Properties

Compound Name7-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-3-methyl-1,3-benzoxazol-2-one
PubChem CID58655897
Molecular FormulaC14H19N3O2
Molecular Weight261.32 g/mol
Exact Mass261.15
IUPAC Name7-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-3-methyl-1,3-benzoxazol-2-one
SMILESC[C@@H]1CN(c2cccc3c2oc(=O)n3C)C[C@H](C)N1
InChIInChI=1S/C14H19N3O2/c1-9-7-17(8-10(2)15-9)12-6-4-5-11-13(12)19-14(18)16(11)3/h4-6,9-10,15H,7-8H2,1-3H3/t9-,10+
InChIKeyFJFZFGOCOYYUFS-AOOOYVTPSA-N
XLogP1.32
TPSA50.41 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 7-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-3-methyl-1,3-benzoxazol-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 7-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-3-methyl-1,3-benzoxazol-2-one?
The IUPAC name of 7-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-3-methyl-1,3-benzoxazol-2-one (CID 58655897) is 7-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-3-methyl-1,3-benzoxazol-2-one.
What is the SMILES notation for 7-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-3-methyl-1,3-benzoxazol-2-one?
The canonical SMILES for 7-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-3-methyl-1,3-benzoxazol-2-one is C[C@@H]1CN(c2cccc3c2oc(=O)n3C)C[C@H](C)N1.
What is the InChIKey of 7-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-3-methyl-1,3-benzoxazol-2-one?
The InChIKey is FJFZFGOCOYYUFS-AOOOYVTPSA-N. The full InChI is InChI=1S/C14H19N3O2/c1-9-7-17(8-10(2)15-9)12-6-4-5-11-13(12)19-14(18)16(11)3/h4-6,9-10,15H,7-8H2,1-3H3/t9-,10+.
What are the key properties of 7-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-3-methyl-1,3-benzoxazol-2-one?
7-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-3-methyl-1,3-benzoxazol-2-one has a molecular weight of 261.32 g/mol, XLogP of 1.32, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-3-methyl-1,3-benzoxazol-2-one is sourced from PubChem (CID 58655897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).