4-[[2-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]-1,3-benzoxazol-5-yl]methyl]-1,3-oxazolidine-2,5-dione

C22H17N3O5 — CID 18982981

IUPAC4-[[2-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]-1,3-benzoxazol-5-yl]methyl]-1,3-oxazolidine-2,5-dione
SMILESCc1oc(-c2ccccc2)nc1Cc1nc2cc(CC3NC(=O)OC3=O)ccc2o1
InChIInChI=1S/C22H17N3O5/c1-12-15(24-20(28-12)14-5-3-2-4-6-14)11-19-23-16-9-13(7-8-18(16)29-19)10-17-21(26)30-22(27)25-17/h2-9,17H,10-11H2,1H3,(H,25,27)
InChIKeyLFTGQUBZGNWOHE-UHFFFAOYSA-N
MW403.39 g/mol
LogP3.56
Rot. Bonds5

About 4-[[2-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]-1,3-benzoxazol-5-yl]methyl]-1,3-oxazolidine-2,5-dione

4-[[2-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]-1,3-benzoxazol-5-yl]methyl]-1,3-oxazolidine-2,5-dione (PubChem CID 18982981) has the molecular formula C22H17N3O5 and a molecular weight of 403.39 g/mol. Its IUPAC name is 4-[[2-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]-1,3-benzoxazol-5-yl]methyl]-1,3-oxazolidine-2,5-dione.

Molecular Properties

Compound Name4-[[2-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]-1,3-benzoxazol-5-yl]methyl]-1,3-oxazolidine-2,5-dione
PubChem CID18982981
Molecular FormulaC22H17N3O5
Molecular Weight403.39 g/mol
Exact Mass403.12
IUPAC Name4-[[2-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]-1,3-benzoxazol-5-yl]methyl]-1,3-oxazolidine-2,5-dione
SMILESCc1oc(-c2ccccc2)nc1Cc1nc2cc(CC3NC(=O)OC3=O)ccc2o1
InChIInChI=1S/C22H17N3O5/c1-12-15(24-20(28-12)14-5-3-2-4-6-14)11-19-23-16-9-13(7-8-18(16)29-19)10-17-21(26)30-22(27)25-17/h2-9,17H,10-11H2,1H3,(H,25,27)
InChIKeyLFTGQUBZGNWOHE-UHFFFAOYSA-N
XLogP3.56
TPSA107.46 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.39
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze 4-[[2-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]-1,3-benzoxazol-5-yl]methyl]-1,3-oxazolidine-2,5-dione with MolForge

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

Launch Full Analysis

Related Compounds

4-[5-[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]pentyl]-1,3-oxazolidine-2,5-dione
CID 18546152
4-[5-[3-methoxy-4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]pentyl]-1,3-oxazolidine-2,5-dione
CID 22622692
4-[6-[3-methoxy-4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]hexyl]-1,3-oxazolidine-2,5-dione
CID 21224448
5-[[2-[(2,5-dimethyl-1,3-oxazol-4-yl)methyl]-1,3-benzoxazol-5-yl]methyl]-1,3-thiazolidine-2,4-dione
CID 14674499
4-[3-[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]-3-propoxyphenyl]propyl]-1,3-oxazolidine-2,5-dione
CID 21224441
methyl (2S)-3-[2-[3-(5-methyl-2-phenyl-1,3-oxazol-4-yl)propyl]-1,3-benzoxazol-5-yl]-2-(4-phenylphenoxy)propanoate
CID 54768465
5-(2,2-dimethylpropyl)-2-phenyl-1,3-benzoxazole
CID 129228304
(5-methyl-2-phenyl-1,3-oxazol-4-yl)methanamine
CID 15616431
(4S)-4-[(3-fluorophenyl)methyl]-1,3-oxazolidine-2,5-dione
CID 138393631
(2R)-2-(4-tert-butylphenoxy)-3-[2-[3-(5-methyl-2-phenyl-1,3-oxazol-4-yl)propyl]-1,3-benzoxazol-5-yl]propanoic acid
CID 54768639
2-amino-5-[(2-phenyl-1,3-benzoxazol-5-yl)methyl]-1,3-thiazol-4-one
CID 10543905
5-[[2-[(2-phenyl-1,3-thiazol-4-yl)methyl]-1,3-benzoxazol-5-yl]methyl]-1,3-thiazolidine-2,4-dione
CID 10502283

Frequently Asked Questions

What is the IUPAC name of 4-[[2-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]-1,3-benzoxazol-5-yl]methyl]-1,3-oxazolidine-2,5-dione?
The IUPAC name of 4-[[2-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]-1,3-benzoxazol-5-yl]methyl]-1,3-oxazolidine-2,5-dione (CID 18982981) is 4-[[2-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]-1,3-benzoxazol-5-yl]methyl]-1,3-oxazolidine-2,5-dione.
What is the SMILES notation for 4-[[2-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]-1,3-benzoxazol-5-yl]methyl]-1,3-oxazolidine-2,5-dione?
The canonical SMILES for 4-[[2-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]-1,3-benzoxazol-5-yl]methyl]-1,3-oxazolidine-2,5-dione is Cc1oc(-c2ccccc2)nc1Cc1nc2cc(CC3NC(=O)OC3=O)ccc2o1.
What is the InChIKey of 4-[[2-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]-1,3-benzoxazol-5-yl]methyl]-1,3-oxazolidine-2,5-dione?
The InChIKey is LFTGQUBZGNWOHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17N3O5/c1-12-15(24-20(28-12)14-5-3-2-4-6-14)11-19-23-16-9-13(7-8-18(16)29-19)10-17-21(26)30-22(27)25-17/h2-9,17H,10-11H2,1H3,(H,25,27).
What are the key properties of 4-[[2-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]-1,3-benzoxazol-5-yl]methyl]-1,3-oxazolidine-2,5-dione?
4-[[2-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]-1,3-benzoxazol-5-yl]methyl]-1,3-oxazolidine-2,5-dione has a molecular weight of 403.39 g/mol, XLogP of 3.56, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]-1,3-benzoxazol-5-yl]methyl]-1,3-oxazolidine-2,5-dione is sourced from PubChem (CID 18982981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).