5-[(1,2,5-trimethylpiperidin-4-yl)amino]-3H-1,3-benzoxazol-2-one

C15H21N3O2 — CID 43741600

IUPAC5-[(1,2,5-trimethylpiperidin-4-yl)amino]-3H-1,3-benzoxazol-2-one
SMILESCC1CN(C)C(C)CC1Nc1ccc2oc(=O)[nH]c2c1
InChIInChI=1S/C15H21N3O2/c1-9-8-18(3)10(2)6-12(9)16-11-4-5-14-13(7-11)17-15(19)20-14/h4-5,7,9-10,12,16H,6,8H2,1-3H3,(H,17,19)
InChIKeyZGNVQHUJTNDICM-UHFFFAOYSA-N
MW275.35 g/mol
LogP2.26
Rot. Bonds2

About 5-[(1,2,5-trimethylpiperidin-4-yl)amino]-3H-1,3-benzoxazol-2-one

5-[(1,2,5-trimethylpiperidin-4-yl)amino]-3H-1,3-benzoxazol-2-one (PubChem CID 43741600) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is 5-[(1,2,5-trimethylpiperidin-4-yl)amino]-3H-1,3-benzoxazol-2-one.

Molecular Properties

Compound Name5-[(1,2,5-trimethylpiperidin-4-yl)amino]-3H-1,3-benzoxazol-2-one
PubChem CID43741600
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC Name5-[(1,2,5-trimethylpiperidin-4-yl)amino]-3H-1,3-benzoxazol-2-one
SMILESCC1CN(C)C(C)CC1Nc1ccc2oc(=O)[nH]c2c1
InChIInChI=1S/C15H21N3O2/c1-9-8-18(3)10(2)6-12(9)16-11-4-5-14-13(7-11)17-15(19)20-14/h4-5,7,9-10,12,16H,6,8H2,1-3H3,(H,17,19)
InChIKeyZGNVQHUJTNDICM-UHFFFAOYSA-N
XLogP2.26
TPSA61.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5-[(1,2,5-trimethylpiperidin-4-yl)amino]-3H-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 5-[(1,2,5-trimethylpiperidin-4-yl)amino]-3H-1,3-benzoxazol-2-one?
The IUPAC name of 5-[(1,2,5-trimethylpiperidin-4-yl)amino]-3H-1,3-benzoxazol-2-one (CID 43741600) is 5-[(1,2,5-trimethylpiperidin-4-yl)amino]-3H-1,3-benzoxazol-2-one.
What is the SMILES notation for 5-[(1,2,5-trimethylpiperidin-4-yl)amino]-3H-1,3-benzoxazol-2-one?
The canonical SMILES for 5-[(1,2,5-trimethylpiperidin-4-yl)amino]-3H-1,3-benzoxazol-2-one is CC1CN(C)C(C)CC1Nc1ccc2oc(=O)[nH]c2c1.
What is the InChIKey of 5-[(1,2,5-trimethylpiperidin-4-yl)amino]-3H-1,3-benzoxazol-2-one?
The InChIKey is ZGNVQHUJTNDICM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2/c1-9-8-18(3)10(2)6-12(9)16-11-4-5-14-13(7-11)17-15(19)20-14/h4-5,7,9-10,12,16H,6,8H2,1-3H3,(H,17,19).
What are the key properties of 5-[(1,2,5-trimethylpiperidin-4-yl)amino]-3H-1,3-benzoxazol-2-one?
5-[(1,2,5-trimethylpiperidin-4-yl)amino]-3H-1,3-benzoxazol-2-one has a molecular weight of 275.35 g/mol, XLogP of 2.26, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1,2,5-trimethylpiperidin-4-yl)amino]-3H-1,3-benzoxazol-2-one is sourced from PubChem (CID 43741600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).