6,7-dimethyl-3,4-di(propan-2-yl)-1,2-benzoxazole

C15H21NO — CID 170416195

IUPAC6,7-dimethyl-3,4-di(propan-2-yl)-1,2-benzoxazole
SMILESCc1cc(C(C)C)c2c(C(C)C)noc2c1C
InChIInChI=1S/C15H21NO/c1-8(2)12-7-10(5)11(6)15-13(12)14(9(3)4)16-17-15/h7-9H,1-6H3
InChIKeyJYPYIDIWFWRESC-UHFFFAOYSA-N
MW231.34 g/mol
LogP4.69
Rot. Bonds2

About 6,7-dimethyl-3,4-di(propan-2-yl)-1,2-benzoxazole

6,7-dimethyl-3,4-di(propan-2-yl)-1,2-benzoxazole (PubChem CID 170416195) has the molecular formula C15H21NO and a molecular weight of 231.34 g/mol. Its IUPAC name is 6,7-dimethyl-3,4-di(propan-2-yl)-1,2-benzoxazole.

Molecular Properties

Compound Name6,7-dimethyl-3,4-di(propan-2-yl)-1,2-benzoxazole
PubChem CID170416195
Molecular FormulaC15H21NO
Molecular Weight231.34 g/mol
Exact Mass231.16
IUPAC Name6,7-dimethyl-3,4-di(propan-2-yl)-1,2-benzoxazole
SMILESCc1cc(C(C)C)c2c(C(C)C)noc2c1C
InChIInChI=1S/C15H21NO/c1-8(2)12-7-10(5)11(6)15-13(12)14(9(3)4)16-17-15/h7-9H,1-6H3
InChIKeyJYPYIDIWFWRESC-UHFFFAOYSA-N
XLogP4.69
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 54.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6,7-dimethyl-3,4-di(propan-2-yl)-1,2-benzoxazole?
The IUPAC name of 6,7-dimethyl-3,4-di(propan-2-yl)-1,2-benzoxazole (CID 170416195) is 6,7-dimethyl-3,4-di(propan-2-yl)-1,2-benzoxazole.
What is the SMILES notation for 6,7-dimethyl-3,4-di(propan-2-yl)-1,2-benzoxazole?
The canonical SMILES for 6,7-dimethyl-3,4-di(propan-2-yl)-1,2-benzoxazole is Cc1cc(C(C)C)c2c(C(C)C)noc2c1C.
What is the InChIKey of 6,7-dimethyl-3,4-di(propan-2-yl)-1,2-benzoxazole?
The InChIKey is JYPYIDIWFWRESC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO/c1-8(2)12-7-10(5)11(6)15-13(12)14(9(3)4)16-17-15/h7-9H,1-6H3.
What are the key properties of 6,7-dimethyl-3,4-di(propan-2-yl)-1,2-benzoxazole?
6,7-dimethyl-3,4-di(propan-2-yl)-1,2-benzoxazole has a molecular weight of 231.34 g/mol, XLogP of 4.69, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dimethyl-3,4-di(propan-2-yl)-1,2-benzoxazole is sourced from PubChem (CID 170416195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).