3-(1,3-benzoxazol-2-yl)-7-piperidin-1-ylchromen-2-one

C21H18N2O3 — CID 155555892

IUPAC3-(1,3-benzoxazol-2-yl)-7-piperidin-1-ylchromen-2-one
SMILESO=c1oc2cc(N3CCCCC3)ccc2cc1-c1nc2ccccc2o1
InChIInChI=1S/C21H18N2O3/c24-21-16(20-22-17-6-2-3-7-18(17)25-20)12-14-8-9-15(13-19(14)26-21)23-10-4-1-5-11-23/h2-3,6-9,12-13H,1,4-5,10-11H2
InChIKeySGZYZCPHKMVULB-UHFFFAOYSA-N
MW346.39 g/mol
LogP4.59
Rot. Bonds2

About 3-(1,3-benzoxazol-2-yl)-7-piperidin-1-ylchromen-2-one

3-(1,3-benzoxazol-2-yl)-7-piperidin-1-ylchromen-2-one (PubChem CID 155555892) has the molecular formula C21H18N2O3 and a molecular weight of 346.39 g/mol. Its IUPAC name is 3-(1,3-benzoxazol-2-yl)-7-piperidin-1-ylchromen-2-one.

Molecular Properties

Compound Name3-(1,3-benzoxazol-2-yl)-7-piperidin-1-ylchromen-2-one
PubChem CID155555892
Molecular FormulaC21H18N2O3
Molecular Weight346.39 g/mol
Exact Mass346.13
IUPAC Name3-(1,3-benzoxazol-2-yl)-7-piperidin-1-ylchromen-2-one
SMILESO=c1oc2cc(N3CCCCC3)ccc2cc1-c1nc2ccccc2o1
InChIInChI=1S/C21H18N2O3/c24-21-16(20-22-17-6-2-3-7-18(17)25-20)12-14-8-9-15(13-19(14)26-21)23-10-4-1-5-11-23/h2-3,6-9,12-13H,1,4-5,10-11H2
InChIKeySGZYZCPHKMVULB-UHFFFAOYSA-N
XLogP4.59
TPSA59.48 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.39
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}

Analyze 3-(1,3-benzoxazol-2-yl)-7-piperidin-1-ylchromen-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 3-(1,3-benzoxazol-2-yl)-7-piperidin-1-ylchromen-2-one?
The IUPAC name of 3-(1,3-benzoxazol-2-yl)-7-piperidin-1-ylchromen-2-one (CID 155555892) is 3-(1,3-benzoxazol-2-yl)-7-piperidin-1-ylchromen-2-one.
What is the SMILES notation for 3-(1,3-benzoxazol-2-yl)-7-piperidin-1-ylchromen-2-one?
The canonical SMILES for 3-(1,3-benzoxazol-2-yl)-7-piperidin-1-ylchromen-2-one is O=c1oc2cc(N3CCCCC3)ccc2cc1-c1nc2ccccc2o1.
What is the InChIKey of 3-(1,3-benzoxazol-2-yl)-7-piperidin-1-ylchromen-2-one?
The InChIKey is SGZYZCPHKMVULB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N2O3/c24-21-16(20-22-17-6-2-3-7-18(17)25-20)12-14-8-9-15(13-19(14)26-21)23-10-4-1-5-11-23/h2-3,6-9,12-13H,1,4-5,10-11H2.
What are the key properties of 3-(1,3-benzoxazol-2-yl)-7-piperidin-1-ylchromen-2-one?
3-(1,3-benzoxazol-2-yl)-7-piperidin-1-ylchromen-2-one has a molecular weight of 346.39 g/mol, XLogP of 4.59, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3-benzoxazol-2-yl)-7-piperidin-1-ylchromen-2-one is sourced from PubChem (CID 155555892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).