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

C17H14N2O2 — CID 20792473

IUPAC2-(3,4-dimethylphenyl)-6-methyl-[1,3]oxazolo[4,5-f][1,3]benzoxazole
SMILESCc1nc2cc3nc(-c4ccc(C)c(C)c4)oc3cc2o1
InChIInChI=1S/C17H14N2O2/c1-9-4-5-12(6-10(9)2)17-19-14-7-13-15(8-16(14)21-17)20-11(3)18-13/h4-8H,1-3H3
InChIKeyRVRODCGXNVAVHC-UHFFFAOYSA-N
MW278.31 g/mol
LogP4.56
Rot. Bonds1

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

2-(3,4-dimethylphenyl)-6-methyl-[1,3]oxazolo[4,5-f][1,3]benzoxazole (PubChem CID 20792473) has the molecular formula C17H14N2O2 and a molecular weight of 278.31 g/mol. Its IUPAC name is 2-(3,4-dimethylphenyl)-6-methyl-[1,3]oxazolo[4,5-f][1,3]benzoxazole.

Molecular Properties

Compound Name2-(3,4-dimethylphenyl)-6-methyl-[1,3]oxazolo[4,5-f][1,3]benzoxazole
PubChem CID20792473
Molecular FormulaC17H14N2O2
Molecular Weight278.31 g/mol
Exact Mass278.11
IUPAC Name2-(3,4-dimethylphenyl)-6-methyl-[1,3]oxazolo[4,5-f][1,3]benzoxazole
SMILESCc1nc2cc3nc(-c4ccc(C)c(C)c4)oc3cc2o1
InChIInChI=1S/C17H14N2O2/c1-9-4-5-12(6-10(9)2)17-19-14-7-13-15(8-16(14)21-17)20-11(3)18-13/h4-8H,1-3H3
InChIKeyRVRODCGXNVAVHC-UHFFFAOYSA-N
XLogP4.56
TPSA52.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3,4-dimethylphenyl)-5-propan-2-yl-1,3-benzoxazole
CID 17273976
2-(3,4-dimethylphenyl)-5-[[2-(3,4-dimethylphenyl)-1,3-benzoxazol-5-yl]sulfonyl]-1,3-benzoxazole
CID 17297013
2-(3,4-dimethylphenyl)-1,3-benzoxazole-5-carbaldehyde
CID 82159693
2-[2-(3,4-dimethylphenyl)-1,3-benzoxazol-5-yl]ethanamine
CID 82304478
1-[2-(3,4-dimethylphenyl)-1,3-benzoxazol-5-yl]-N-methylmethanamine
CID 82357631
2-(4-ethylphenyl)-5,6-dimethyl-1,3-benzoxazole
CID 95910929
2,2,2-trichloro-N-[2-(3,4-dimethylphenyl)-1,3-benzoxazol-5-yl]acetamide
CID 5241503
N-[5-(5,6-dimethyl-1,3-benzoxazol-2-yl)-2-methylphenyl]-3,4-dimethylbenzamide
CID 17092390
N-[2-(3,4-dimethylphenyl)-1,3-benzoxazol-5-yl]-3,4-dimethylbenzamide
CID 3395409
2-(3,4-dimethylphenyl)-5-methyl-1,3,4-oxadiazole
CID 53017476
5-tert-butyl-2-[4-(5-tert-butyl-6-methyl-1,3-benzoxazol-2-yl)phenyl]-6-methyl-1,3-benzoxazole
CID 20612830
4-(5-chloro-6-fluoro-1,3-benzoxazol-2-yl)-2-methylaniline
CID 82720762

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethylphenyl)-6-methyl-[1,3]oxazolo[4,5-f][1,3]benzoxazole?
The IUPAC name of 2-(3,4-dimethylphenyl)-6-methyl-[1,3]oxazolo[4,5-f][1,3]benzoxazole (CID 20792473) is 2-(3,4-dimethylphenyl)-6-methyl-[1,3]oxazolo[4,5-f][1,3]benzoxazole.
What is the SMILES notation for 2-(3,4-dimethylphenyl)-6-methyl-[1,3]oxazolo[4,5-f][1,3]benzoxazole?
The canonical SMILES for 2-(3,4-dimethylphenyl)-6-methyl-[1,3]oxazolo[4,5-f][1,3]benzoxazole is Cc1nc2cc3nc(-c4ccc(C)c(C)c4)oc3cc2o1.
What is the InChIKey of 2-(3,4-dimethylphenyl)-6-methyl-[1,3]oxazolo[4,5-f][1,3]benzoxazole?
The InChIKey is RVRODCGXNVAVHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O2/c1-9-4-5-12(6-10(9)2)17-19-14-7-13-15(8-16(14)21-17)20-11(3)18-13/h4-8H,1-3H3.
What are the key properties of 2-(3,4-dimethylphenyl)-6-methyl-[1,3]oxazolo[4,5-f][1,3]benzoxazole?
2-(3,4-dimethylphenyl)-6-methyl-[1,3]oxazolo[4,5-f][1,3]benzoxazole has a molecular weight of 278.31 g/mol, XLogP of 4.56, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethylphenyl)-6-methyl-[1,3]oxazolo[4,5-f][1,3]benzoxazole is sourced from PubChem (CID 20792473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).