2-(3-fluorophenyl)-5-(2-methylpropyl)-1,3-benzoxazole

C17H16FNO — CID 82233469

IUPAC2-(3-fluorophenyl)-5-(2-methylpropyl)-1,3-benzoxazole
SMILESCC(C)Cc1ccc2oc(-c3cccc(F)c3)nc2c1
InChIInChI=1S/C17H16FNO/c1-11(2)8-12-6-7-16-15(9-12)19-17(20-16)13-4-3-5-14(18)10-13/h3-7,9-11H,8H2,1-2H3
InChIKeyQVCSPGBLMKSIBZ-UHFFFAOYSA-N
MW269.32 g/mol
LogP4.83
Rot. Bonds3

About 2-(3-fluorophenyl)-5-(2-methylpropyl)-1,3-benzoxazole

2-(3-fluorophenyl)-5-(2-methylpropyl)-1,3-benzoxazole (PubChem CID 82233469) has the molecular formula C17H16FNO and a molecular weight of 269.32 g/mol. Its IUPAC name is 2-(3-fluorophenyl)-5-(2-methylpropyl)-1,3-benzoxazole.

Molecular Properties

Compound Name2-(3-fluorophenyl)-5-(2-methylpropyl)-1,3-benzoxazole
PubChem CID82233469
Molecular FormulaC17H16FNO
Molecular Weight269.32 g/mol
Exact Mass269.12
IUPAC Name2-(3-fluorophenyl)-5-(2-methylpropyl)-1,3-benzoxazole
SMILESCC(C)Cc1ccc2oc(-c3cccc(F)c3)nc2c1
InChIInChI=1S/C17H16FNO/c1-11(2)8-12-6-7-16-15(9-12)19-17(20-16)13-4-3-5-14(18)10-13/h3-7,9-11H,8H2,1-2H3
InChIKeyQVCSPGBLMKSIBZ-UHFFFAOYSA-N
XLogP4.83
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.32
LogP ≤ 54.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-fluorophenyl)-5-(pyrrolidin-1-ylmethyl)-1,3-benzoxazole
CID 91682454
2-(3-fluorophenyl)-5-[(4-methylpiperazin-1-yl)methyl]-1,3-benzoxazole
CID 91682473
2-(3-fluorophenyl)-5-[[2-(3-fluorophenyl)-1,3-benzoxazol-5-yl]sulfanyl]-1,3-benzoxazole
CID 141112890
2-(3-fluorophenyl)-N-methyl-1,3-benzoxazol-5-amine
CID 91676646
5-[[(3S,5S)-3,5-dimethylpiperidin-1-yl]methyl]-2-(3-fluorophenyl)-1,3-benzoxazole
CID 99968239
1-[2-(3-fluorophenyl)-1,3-benzoxazol-5-yl]ethanone
CID 82299125
1-[2-(3-fluorophenyl)-1,3-benzoxazol-5-yl]propan-1-one
CID 82305496
2-(3-fluorophenyl)-5-[(3-methylpiperidin-1-yl)methyl]-1,3-benzoxazole
CID 91682494
2-(3-fluorophenyl)-1,3-benzoxazole-5-sulfinic acid
CID 174517894
N-[3-(5-ethyl-1,3-benzoxazol-2-yl)phenyl]-3-fluorobenzamide
CID 1363898
(2R)-1-(2-pyridin-3-yl-1,3-benzoxazol-5-yl)butan-2-ol
CID 97132954
2-methoxy-5-(2-methylpropyl)-1,3-benzoxazole
CID 59731320

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenyl)-5-(2-methylpropyl)-1,3-benzoxazole?
The IUPAC name of 2-(3-fluorophenyl)-5-(2-methylpropyl)-1,3-benzoxazole (CID 82233469) is 2-(3-fluorophenyl)-5-(2-methylpropyl)-1,3-benzoxazole.
What is the SMILES notation for 2-(3-fluorophenyl)-5-(2-methylpropyl)-1,3-benzoxazole?
The canonical SMILES for 2-(3-fluorophenyl)-5-(2-methylpropyl)-1,3-benzoxazole is CC(C)Cc1ccc2oc(-c3cccc(F)c3)nc2c1.
What is the InChIKey of 2-(3-fluorophenyl)-5-(2-methylpropyl)-1,3-benzoxazole?
The InChIKey is QVCSPGBLMKSIBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FNO/c1-11(2)8-12-6-7-16-15(9-12)19-17(20-16)13-4-3-5-14(18)10-13/h3-7,9-11H,8H2,1-2H3.
What are the key properties of 2-(3-fluorophenyl)-5-(2-methylpropyl)-1,3-benzoxazole?
2-(3-fluorophenyl)-5-(2-methylpropyl)-1,3-benzoxazole has a molecular weight of 269.32 g/mol, XLogP of 4.83, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorophenyl)-5-(2-methylpropyl)-1,3-benzoxazole is sourced from PubChem (CID 82233469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).