2-methyl-6-(4-methylphenyl)-5,6-dihydro-[1,3]oxazolo[4,5-f][1,3]benzoxazole

C16H14N2O2 — CID 123220813

IUPAC2-methyl-6-(4-methylphenyl)-5,6-dihydro-[1,3]oxazolo[4,5-f][1,3]benzoxazole
SMILESCc1ccc(C2Nc3cc4nc(C)oc4cc3O2)cc1
InChIInChI=1S/C16H14N2O2/c1-9-3-5-11(6-4-9)16-18-13-7-12-14(8-15(13)20-16)19-10(2)17-12/h3-8,16,18H,1-2H3
InChIKeyAZBXBAQUYWYPKY-UHFFFAOYSA-N
MW266.30 g/mol
LogP3.95
Rot. Bonds1

About 2-methyl-6-(4-methylphenyl)-5,6-dihydro-[1,3]oxazolo[4,5-f][1,3]benzoxazole

2-methyl-6-(4-methylphenyl)-5,6-dihydro-[1,3]oxazolo[4,5-f][1,3]benzoxazole (PubChem CID 123220813) has the molecular formula C16H14N2O2 and a molecular weight of 266.30 g/mol. Its IUPAC name is 2-methyl-6-(4-methylphenyl)-5,6-dihydro-[1,3]oxazolo[4,5-f][1,3]benzoxazole.

Molecular Properties

Compound Name2-methyl-6-(4-methylphenyl)-5,6-dihydro-[1,3]oxazolo[4,5-f][1,3]benzoxazole
PubChem CID123220813
Molecular FormulaC16H14N2O2
Molecular Weight266.30 g/mol
Exact Mass266.11
IUPAC Name2-methyl-6-(4-methylphenyl)-5,6-dihydro-[1,3]oxazolo[4,5-f][1,3]benzoxazole
SMILESCc1ccc(C2Nc3cc4nc(C)oc4cc3O2)cc1
InChIInChI=1S/C16H14N2O2/c1-9-3-5-11(6-4-9)16-18-13-7-12-14(8-15(13)20-16)19-10(2)17-12/h3-8,16,18H,1-2H3
InChIKeyAZBXBAQUYWYPKY-UHFFFAOYSA-N
XLogP3.95
TPSA47.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N,N-dimethyl-4-[(2S)-5-methyl-2,3-dihydro-1,3-benzoxazol-2-yl]aniline
CID 6929903
4-(2-methyl-1,3-benzoxazol-6-yl)imidazolidin-2-one
CID 116855847
2-methyl-6-(4-methylphenyl)-1,3-benzoxazol-5-ol
CID 12886751
2,5-dimethyl-1,3-benzoxazole;2,6-dimethyl-1,3-benzoxazole;ethane
CID 143414521
2-methyl-5-(5-methylpiperidin-2-yl)-1,3-benzoxazole
CID 175627696
2,6-dimethyl-[1]benzofuro[2,3-f][1,3]benzoxazole
CID 20610489
(2S,3S)-2-[4-(2-methyl-1,3-benzoxazol-6-yl)phenyl]pyrrolidin-3-ol
CID 154807919
4-(2-methyl-1,3-benzoxazol-6-yl)cyclohexan-1-one
CID 116963374
6-(azetidin-3-yloxy)-2-methyl-1,3-benzoxazole
CID 84672190
2-methyl-5-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]-1,3-benzoxazole
CID 53140993
2-methyl-1,3-benzoxazole-5-thiol
CID 83529189
6-iodo-2-methyl-1,3-benzoxazole
CID 119084609

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-(4-methylphenyl)-5,6-dihydro-[1,3]oxazolo[4,5-f][1,3]benzoxazole?
The IUPAC name of 2-methyl-6-(4-methylphenyl)-5,6-dihydro-[1,3]oxazolo[4,5-f][1,3]benzoxazole (CID 123220813) is 2-methyl-6-(4-methylphenyl)-5,6-dihydro-[1,3]oxazolo[4,5-f][1,3]benzoxazole.
What is the SMILES notation for 2-methyl-6-(4-methylphenyl)-5,6-dihydro-[1,3]oxazolo[4,5-f][1,3]benzoxazole?
The canonical SMILES for 2-methyl-6-(4-methylphenyl)-5,6-dihydro-[1,3]oxazolo[4,5-f][1,3]benzoxazole is Cc1ccc(C2Nc3cc4nc(C)oc4cc3O2)cc1.
What is the InChIKey of 2-methyl-6-(4-methylphenyl)-5,6-dihydro-[1,3]oxazolo[4,5-f][1,3]benzoxazole?
The InChIKey is AZBXBAQUYWYPKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O2/c1-9-3-5-11(6-4-9)16-18-13-7-12-14(8-15(13)20-16)19-10(2)17-12/h3-8,16,18H,1-2H3.
What are the key properties of 2-methyl-6-(4-methylphenyl)-5,6-dihydro-[1,3]oxazolo[4,5-f][1,3]benzoxazole?
2-methyl-6-(4-methylphenyl)-5,6-dihydro-[1,3]oxazolo[4,5-f][1,3]benzoxazole has a molecular weight of 266.30 g/mol, XLogP of 3.95, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-(4-methylphenyl)-5,6-dihydro-[1,3]oxazolo[4,5-f][1,3]benzoxazole is sourced from PubChem (CID 123220813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).