5,7-dimethyl-1,3-dihydro-2,1-benzoxazole

C9H11NO — CID 156828600

IUPAC5,7-dimethyl-1,3-dihydro-2,1-benzoxazole
SMILESCc1cc(C)c2c(c1)CON2
InChIInChI=1S/C9H11NO/c1-6-3-7(2)9-8(4-6)5-11-10-9/h3-4,10H,5H2,1-2H3
InChIKeyOTOUMDNYBOYDJP-UHFFFAOYSA-N
MW149.19 g/mol
LogP2.16
Rot. Bonds

About 5,7-dimethyl-1,3-dihydro-2,1-benzoxazole

5,7-dimethyl-1,3-dihydro-2,1-benzoxazole (PubChem CID 156828600) has the molecular formula C9H11NO and a molecular weight of 149.19 g/mol. Its IUPAC name is 5,7-dimethyl-1,3-dihydro-2,1-benzoxazole.

Molecular Properties

Compound Name5,7-dimethyl-1,3-dihydro-2,1-benzoxazole
PubChem CID156828600
Molecular FormulaC9H11NO
Molecular Weight149.19 g/mol
Exact Mass149.08
IUPAC Name5,7-dimethyl-1,3-dihydro-2,1-benzoxazole
SMILESCc1cc(C)c2c(c1)CON2
InChIInChI=1S/C9H11NO/c1-6-3-7(2)9-8(4-6)5-11-10-9/h3-4,10H,5H2,1-2H3
InChIKeyOTOUMDNYBOYDJP-UHFFFAOYSA-N
XLogP2.16
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.19
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 5,7-dimethyl-1,3-dihydro-2,1-benzoxazole?
The IUPAC name of 5,7-dimethyl-1,3-dihydro-2,1-benzoxazole (CID 156828600) is 5,7-dimethyl-1,3-dihydro-2,1-benzoxazole.
What is the SMILES notation for 5,7-dimethyl-1,3-dihydro-2,1-benzoxazole?
The canonical SMILES for 5,7-dimethyl-1,3-dihydro-2,1-benzoxazole is Cc1cc(C)c2c(c1)CON2.
What is the InChIKey of 5,7-dimethyl-1,3-dihydro-2,1-benzoxazole?
The InChIKey is OTOUMDNYBOYDJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO/c1-6-3-7(2)9-8(4-6)5-11-10-9/h3-4,10H,5H2,1-2H3.
What are the key properties of 5,7-dimethyl-1,3-dihydro-2,1-benzoxazole?
5,7-dimethyl-1,3-dihydro-2,1-benzoxazole has a molecular weight of 149.19 g/mol, XLogP of 2.16, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dimethyl-1,3-dihydro-2,1-benzoxazole is sourced from PubChem (CID 156828600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).