5-methyl-2,3-dihydro-1,2-benzoxazole

C8H9NO — CID 143429247

IUPAC5-methyl-2,3-dihydro-1,2-benzoxazole
SMILESCc1ccc2c(c1)CNO2
InChIInChI=1S/C8H9NO/c1-6-2-3-8-7(4-6)5-9-10-8/h2-4,9H,5H2,1H3
InChIKeyHUICMQRZQIIYHV-UHFFFAOYSA-N
MW135.17 g/mol
LogP1.39
Rot. Bonds

About 5-methyl-2,3-dihydro-1,2-benzoxazole

5-methyl-2,3-dihydro-1,2-benzoxazole (PubChem CID 143429247) has the molecular formula C8H9NO and a molecular weight of 135.17 g/mol. Its IUPAC name is 5-methyl-2,3-dihydro-1,2-benzoxazole.

Molecular Properties

Compound Name5-methyl-2,3-dihydro-1,2-benzoxazole
PubChem CID143429247
Molecular FormulaC8H9NO
Molecular Weight135.17 g/mol
Exact Mass135.07
IUPAC Name5-methyl-2,3-dihydro-1,2-benzoxazole
SMILESCc1ccc2c(c1)CNO2
InChIInChI=1S/C8H9NO/c1-6-2-3-8-7(4-6)5-9-10-8/h2-4,9H,5H2,1H3
InChIKeyHUICMQRZQIIYHV-UHFFFAOYSA-N
XLogP1.39
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.17
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-2,3-dihydro-1,2-benzoxazole?
The IUPAC name of 5-methyl-2,3-dihydro-1,2-benzoxazole (CID 143429247) is 5-methyl-2,3-dihydro-1,2-benzoxazole.
What is the SMILES notation for 5-methyl-2,3-dihydro-1,2-benzoxazole?
The canonical SMILES for 5-methyl-2,3-dihydro-1,2-benzoxazole is Cc1ccc2c(c1)CNO2.
What is the InChIKey of 5-methyl-2,3-dihydro-1,2-benzoxazole?
The InChIKey is HUICMQRZQIIYHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NO/c1-6-2-3-8-7(4-6)5-9-10-8/h2-4,9H,5H2,1H3.
What are the key properties of 5-methyl-2,3-dihydro-1,2-benzoxazole?
5-methyl-2,3-dihydro-1,2-benzoxazole has a molecular weight of 135.17 g/mol, XLogP of 1.39, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2,3-dihydro-1,2-benzoxazole is sourced from PubChem (CID 143429247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).