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

C9H11NO — CID 90363977

IUPAC2,5-dimethyl-4,5-dihydro-1,3-benzoxazole
SMILESCc1nc2c(o1)C=CC(C)C2
InChIInChI=1S/C9H11NO/c1-6-3-4-9-8(5-6)10-7(2)11-9/h3-4,6H,5H2,1-2H3
InChIKeyZGCYDMYNMAOSKM-UHFFFAOYSA-N
MW149.19 g/mol
LogP2.19
Rot. Bonds

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

2,5-dimethyl-4,5-dihydro-1,3-benzoxazole (PubChem CID 90363977) has the molecular formula C9H11NO and a molecular weight of 149.19 g/mol. Its IUPAC name is 2,5-dimethyl-4,5-dihydro-1,3-benzoxazole.

Molecular Properties

Compound Name2,5-dimethyl-4,5-dihydro-1,3-benzoxazole
PubChem CID90363977
Molecular FormulaC9H11NO
Molecular Weight149.19 g/mol
Exact Mass149.08
IUPAC Name2,5-dimethyl-4,5-dihydro-1,3-benzoxazole
SMILESCc1nc2c(o1)C=CC(C)C2
InChIInChI=1S/C9H11NO/c1-6-3-4-9-8(5-6)10-7(2)11-9/h3-4,6H,5H2,1-2H3
InChIKeyZGCYDMYNMAOSKM-UHFFFAOYSA-N
XLogP2.19
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 ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-4,5-dihydro-1,3-benzoxazole?
The IUPAC name of 2,5-dimethyl-4,5-dihydro-1,3-benzoxazole (CID 90363977) is 2,5-dimethyl-4,5-dihydro-1,3-benzoxazole.
What is the SMILES notation for 2,5-dimethyl-4,5-dihydro-1,3-benzoxazole?
The canonical SMILES for 2,5-dimethyl-4,5-dihydro-1,3-benzoxazole is Cc1nc2c(o1)C=CC(C)C2.
What is the InChIKey of 2,5-dimethyl-4,5-dihydro-1,3-benzoxazole?
The InChIKey is ZGCYDMYNMAOSKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO/c1-6-3-4-9-8(5-6)10-7(2)11-9/h3-4,6H,5H2,1-2H3.
What are the key properties of 2,5-dimethyl-4,5-dihydro-1,3-benzoxazole?
2,5-dimethyl-4,5-dihydro-1,3-benzoxazole has a molecular weight of 149.19 g/mol, XLogP of 2.19, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-4,5-dihydro-1,3-benzoxazole is sourced from PubChem (CID 90363977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).