10b-(3-chlorophenyl)-3,6-dihydro-2H-[1,3]oxazolo[3,2-c]quinazolin-5-one

C16H13ClN2O2 — CID 67798918

IUPAC10b-(3-chlorophenyl)-3,6-dihydro-2H-[1,3]oxazolo[3,2-c]quinazolin-5-one
SMILESO=C1Nc2ccccc2C2(c3cccc(Cl)c3)OCCN12
InChIInChI=1S/C16H13ClN2O2/c17-12-5-3-4-11(10-12)16-13-6-1-2-7-14(13)18-15(20)19(16)8-9-21-16/h1-7,10H,8-9H2,(H,18,20)
InChIKeySQBHMPHZJBHRMC-UHFFFAOYSA-N
MW300.75 g/mol
LogP3.42
Rot. Bonds1

About 10b-(3-chlorophenyl)-3,6-dihydro-2H-[1,3]oxazolo[3,2-c]quinazolin-5-one

10b-(3-chlorophenyl)-3,6-dihydro-2H-[1,3]oxazolo[3,2-c]quinazolin-5-one (PubChem CID 67798918) has the molecular formula C16H13ClN2O2 and a molecular weight of 300.75 g/mol. Its IUPAC name is 10b-(3-chlorophenyl)-3,6-dihydro-2H-[1,3]oxazolo[3,2-c]quinazolin-5-one.

Molecular Properties

Compound Name10b-(3-chlorophenyl)-3,6-dihydro-2H-[1,3]oxazolo[3,2-c]quinazolin-5-one
PubChem CID67798918
Molecular FormulaC16H13ClN2O2
Molecular Weight300.75 g/mol
Exact Mass300.07
IUPAC Name10b-(3-chlorophenyl)-3,6-dihydro-2H-[1,3]oxazolo[3,2-c]quinazolin-5-one
SMILESO=C1Nc2ccccc2C2(c3cccc(Cl)c3)OCCN12
InChIInChI=1S/C16H13ClN2O2/c17-12-5-3-4-11(10-12)16-13-6-1-2-7-14(13)18-15(20)19(16)8-9-21-16/h1-7,10H,8-9H2,(H,18,20)
InChIKeySQBHMPHZJBHRMC-UHFFFAOYSA-N
XLogP3.42
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.75
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 10b-(3-chlorophenyl)-3,6-dihydro-2H-[1,3]oxazolo[3,2-c]quinazolin-5-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 10b-(3-chlorophenyl)-3,6-dihydro-2H-[1,3]oxazolo[3,2-c]quinazolin-5-one?
The IUPAC name of 10b-(3-chlorophenyl)-3,6-dihydro-2H-[1,3]oxazolo[3,2-c]quinazolin-5-one (CID 67798918) is 10b-(3-chlorophenyl)-3,6-dihydro-2H-[1,3]oxazolo[3,2-c]quinazolin-5-one.
What is the SMILES notation for 10b-(3-chlorophenyl)-3,6-dihydro-2H-[1,3]oxazolo[3,2-c]quinazolin-5-one?
The canonical SMILES for 10b-(3-chlorophenyl)-3,6-dihydro-2H-[1,3]oxazolo[3,2-c]quinazolin-5-one is O=C1Nc2ccccc2C2(c3cccc(Cl)c3)OCCN12.
What is the InChIKey of 10b-(3-chlorophenyl)-3,6-dihydro-2H-[1,3]oxazolo[3,2-c]quinazolin-5-one?
The InChIKey is SQBHMPHZJBHRMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClN2O2/c17-12-5-3-4-11(10-12)16-13-6-1-2-7-14(13)18-15(20)19(16)8-9-21-16/h1-7,10H,8-9H2,(H,18,20).
What are the key properties of 10b-(3-chlorophenyl)-3,6-dihydro-2H-[1,3]oxazolo[3,2-c]quinazolin-5-one?
10b-(3-chlorophenyl)-3,6-dihydro-2H-[1,3]oxazolo[3,2-c]quinazolin-5-one has a molecular weight of 300.75 g/mol, XLogP of 3.42, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 10b-(3-chlorophenyl)-3,6-dihydro-2H-[1,3]oxazolo[3,2-c]quinazolin-5-one is sourced from PubChem (CID 67798918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).