6-fluoro-2-methoxy-5-methyl-4,5-dihydro-1,3-benzoxazole

C9H10FNO2 — CID 163936869

IUPAC6-fluoro-2-methoxy-5-methyl-4,5-dihydro-1,3-benzoxazole
SMILESCOc1nc2c(o1)C=C(F)C(C)C2
InChIInChI=1S/C9H10FNO2/c1-5-3-7-8(4-6(5)10)13-9(11-7)12-2/h4-5H,3H2,1-2H3
InChIKeyRNOPVZAUBIRAJL-UHFFFAOYSA-N
MW183.18 g/mol
LogP2.19
Rot. Bonds1

About 6-fluoro-2-methoxy-5-methyl-4,5-dihydro-1,3-benzoxazole

6-fluoro-2-methoxy-5-methyl-4,5-dihydro-1,3-benzoxazole (PubChem CID 163936869) has the molecular formula C9H10FNO2 and a molecular weight of 183.18 g/mol. Its IUPAC name is 6-fluoro-2-methoxy-5-methyl-4,5-dihydro-1,3-benzoxazole.

Molecular Properties

Compound Name6-fluoro-2-methoxy-5-methyl-4,5-dihydro-1,3-benzoxazole
PubChem CID163936869
Molecular FormulaC9H10FNO2
Molecular Weight183.18 g/mol
Exact Mass183.07
IUPAC Name6-fluoro-2-methoxy-5-methyl-4,5-dihydro-1,3-benzoxazole
SMILESCOc1nc2c(o1)C=C(F)C(C)C2
InChIInChI=1S/C9H10FNO2/c1-5-3-7-8(4-6(5)10)13-9(11-7)12-2/h4-5H,3H2,1-2H3
InChIKeyRNOPVZAUBIRAJL-UHFFFAOYSA-N
XLogP2.19
TPSA35.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.18
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2,5-Dimethyl-4,5-dihydro-1,3-benzoxazole
CID 90363977
4,5-Dimethyl-4,5-dihydro-1,3-benzoxazole
CID 137536759
2-Propan-2-yl-4,5-dihydro-1,3-benzoxazole
CID 142442825
2,4-Dimethyl-4,5-dihydro-1,3-benzoxazole
CID 144868473
2,4-Dimethyl-4,5-dihydro-1,3-benzoxazole;propane
CID 145224822
4-cyclopropyl-2-methyl-5-[(Z)-prop-1-enyl]-1,3-oxazole
CID 143251998

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-2-methoxy-5-methyl-4,5-dihydro-1,3-benzoxazole?
The IUPAC name of 6-fluoro-2-methoxy-5-methyl-4,5-dihydro-1,3-benzoxazole (CID 163936869) is 6-fluoro-2-methoxy-5-methyl-4,5-dihydro-1,3-benzoxazole.
What is the SMILES notation for 6-fluoro-2-methoxy-5-methyl-4,5-dihydro-1,3-benzoxazole?
The canonical SMILES for 6-fluoro-2-methoxy-5-methyl-4,5-dihydro-1,3-benzoxazole is COc1nc2c(o1)C=C(F)C(C)C2.
What is the InChIKey of 6-fluoro-2-methoxy-5-methyl-4,5-dihydro-1,3-benzoxazole?
The InChIKey is RNOPVZAUBIRAJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10FNO2/c1-5-3-7-8(4-6(5)10)13-9(11-7)12-2/h4-5H,3H2,1-2H3.
What are the key properties of 6-fluoro-2-methoxy-5-methyl-4,5-dihydro-1,3-benzoxazole?
6-fluoro-2-methoxy-5-methyl-4,5-dihydro-1,3-benzoxazole has a molecular weight of 183.18 g/mol, XLogP of 2.19, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-2-methoxy-5-methyl-4,5-dihydro-1,3-benzoxazole is sourced from PubChem (CID 163936869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).