2,6-dimethyl-4,5-dihydro-1,3-benzoxazole

C9H11NO — CID 90363980

IUPAC2,6-dimethyl-4,5-dihydro-1,3-benzoxazole
SMILESCC1=Cc2oc(C)nc2CC1
InChIInChI=1S/C9H11NO/c1-6-3-4-8-9(5-6)11-7(2)10-8/h5H,3-4H2,1-2H3
InChIKeyBLEVGZUBTSHJBT-UHFFFAOYSA-N
MW149.19 g/mol
LogP2.33
Rot. Bonds

About 2,6-dimethyl-4,5-dihydro-1,3-benzoxazole

2,6-dimethyl-4,5-dihydro-1,3-benzoxazole (PubChem CID 90363980) has the molecular formula C9H11NO and a molecular weight of 149.19 g/mol. Its IUPAC name is 2,6-dimethyl-4,5-dihydro-1,3-benzoxazole.

Molecular Properties

Compound Name2,6-dimethyl-4,5-dihydro-1,3-benzoxazole
PubChem CID90363980
Molecular FormulaC9H11NO
Molecular Weight149.19 g/mol
Exact Mass149.08
IUPAC Name2,6-dimethyl-4,5-dihydro-1,3-benzoxazole
SMILESCC1=Cc2oc(C)nc2CC1
InChIInChI=1S/C9H11NO/c1-6-3-4-8-9(5-6)11-7(2)10-8/h5H,3-4H2,1-2H3
InChIKeyBLEVGZUBTSHJBT-UHFFFAOYSA-N
XLogP2.33
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.19
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-4,5-dihydro-1,3-benzoxazole?
The IUPAC name of 2,6-dimethyl-4,5-dihydro-1,3-benzoxazole (CID 90363980) is 2,6-dimethyl-4,5-dihydro-1,3-benzoxazole.
What is the SMILES notation for 2,6-dimethyl-4,5-dihydro-1,3-benzoxazole?
The canonical SMILES for 2,6-dimethyl-4,5-dihydro-1,3-benzoxazole is CC1=Cc2oc(C)nc2CC1.
What is the InChIKey of 2,6-dimethyl-4,5-dihydro-1,3-benzoxazole?
The InChIKey is BLEVGZUBTSHJBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO/c1-6-3-4-8-9(5-6)11-7(2)10-8/h5H,3-4H2,1-2H3.
What are the key properties of 2,6-dimethyl-4,5-dihydro-1,3-benzoxazole?
2,6-dimethyl-4,5-dihydro-1,3-benzoxazole has a molecular weight of 149.19 g/mol, XLogP of 2.33, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-4,5-dihydro-1,3-benzoxazole is sourced from PubChem (CID 90363980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).