2-ethyl-5-fluoro-6,7-dihydro-1,3-benzoxazole

C9H10FNO — CID 142292476

IUPAC2-ethyl-5-fluoro-6,7-dihydro-1,3-benzoxazole
SMILESCCc1nc2c(o1)CCC(F)=C2
InChIInChI=1S/C9H10FNO/c1-2-9-11-7-5-6(10)3-4-8(7)12-9/h5H,2-4H2,1H3
InChIKeyJOFXJJVDXKQEEU-UHFFFAOYSA-N
MW167.18 g/mol
LogP2.49
Rot. Bonds1

About 2-ethyl-5-fluoro-6,7-dihydro-1,3-benzoxazole

2-ethyl-5-fluoro-6,7-dihydro-1,3-benzoxazole (PubChem CID 142292476) has the molecular formula C9H10FNO and a molecular weight of 167.18 g/mol. Its IUPAC name is 2-ethyl-5-fluoro-6,7-dihydro-1,3-benzoxazole.

Molecular Properties

Compound Name2-ethyl-5-fluoro-6,7-dihydro-1,3-benzoxazole
PubChem CID142292476
Molecular FormulaC9H10FNO
Molecular Weight167.18 g/mol
Exact Mass167.07
IUPAC Name2-ethyl-5-fluoro-6,7-dihydro-1,3-benzoxazole
SMILESCCc1nc2c(o1)CCC(F)=C2
InChIInChI=1S/C9H10FNO/c1-2-9-11-7-5-6(10)3-4-8(7)12-9/h5H,2-4H2,1H3
InChIKeyJOFXJJVDXKQEEU-UHFFFAOYSA-N
XLogP2.49
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.18
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-Ethyl-4-methyl-5-propyloxazole
CID 525780
2,4-Dimethyl-5-propyloxazole
CID 525774
5-Fluoro-2-piperidin-4-yl-6,7-dihydro-1,3-benzoxazole
CID 89672712
5-Fluoro-2-methyl-6,7-dihydro-1,3-benzoxazole
CID 142292439
Ethane;2-methyl-5-(trifluoromethyl)-6,7-dihydro-1,3-benzoxazole
CID 142292477
2-Methyl-5-(trifluoromethyl)-6,7-dihydro-1,3-benzoxazole
CID 142292478
2-(6,7-dihydro-1,3-benzoxazol-2-yl)-N-[2-(2-fluoroethoxy)ethyl]ethanamine
CID 154682437
2-Fluoro-6,7-dihydro-1,3-benzoxazole
CID 144710526
2-Methyl-4-prop-1-en-2-yl-5-(trifluoromethyl)-1,3-oxazole
CID 148800021
Oxazole, 4-methyl-2,5-dipropyl
CID 528408
2-methyl-7H-1,3-benzoxazol-6-one
CID 21478685
2,5,6-Trimethyl-4,7-dimethylidene-1,3-benzoxazole
CID 58975922

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-5-fluoro-6,7-dihydro-1,3-benzoxazole?
The IUPAC name of 2-ethyl-5-fluoro-6,7-dihydro-1,3-benzoxazole (CID 142292476) is 2-ethyl-5-fluoro-6,7-dihydro-1,3-benzoxazole.
What is the SMILES notation for 2-ethyl-5-fluoro-6,7-dihydro-1,3-benzoxazole?
The canonical SMILES for 2-ethyl-5-fluoro-6,7-dihydro-1,3-benzoxazole is CCc1nc2c(o1)CCC(F)=C2.
What is the InChIKey of 2-ethyl-5-fluoro-6,7-dihydro-1,3-benzoxazole?
The InChIKey is JOFXJJVDXKQEEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10FNO/c1-2-9-11-7-5-6(10)3-4-8(7)12-9/h5H,2-4H2,1H3.
What are the key properties of 2-ethyl-5-fluoro-6,7-dihydro-1,3-benzoxazole?
2-ethyl-5-fluoro-6,7-dihydro-1,3-benzoxazole has a molecular weight of 167.18 g/mol, XLogP of 2.49, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-5-fluoro-6,7-dihydro-1,3-benzoxazole is sourced from PubChem (CID 142292476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).