3-(4-fluorophenyl)-5-(1H-pyrazol-5-yl)-2,1-benzoxazole

C16H10FN3O — CID 1474300

IUPAC3-(4-fluorophenyl)-5-(1H-pyrazol-5-yl)-2,1-benzoxazole
SMILESFc1ccc(-c2onc3ccc(-c4ccn[nH]4)cc23)cc1
InChIInChI=1S/C16H10FN3O/c17-12-4-1-10(2-5-12)16-13-9-11(14-7-8-18-19-14)3-6-15(13)20-21-16/h1-9H,(H,18,19)
InChIKeyCJZJMJOIVKUBPP-UHFFFAOYSA-N
MW279.27 g/mol
LogP4.02
Rot. Bonds2

About 3-(4-fluorophenyl)-5-(1H-pyrazol-5-yl)-2,1-benzoxazole

3-(4-fluorophenyl)-5-(1H-pyrazol-5-yl)-2,1-benzoxazole (PubChem CID 1474300) has the molecular formula C16H10FN3O and a molecular weight of 279.27 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-5-(1H-pyrazol-5-yl)-2,1-benzoxazole.

Molecular Properties

Compound Name3-(4-fluorophenyl)-5-(1H-pyrazol-5-yl)-2,1-benzoxazole
PubChem CID1474300
Molecular FormulaC16H10FN3O
Molecular Weight279.27 g/mol
Exact Mass279.08
IUPAC Name3-(4-fluorophenyl)-5-(1H-pyrazol-5-yl)-2,1-benzoxazole
SMILESFc1ccc(-c2onc3ccc(-c4ccn[nH]4)cc23)cc1
InChIInChI=1S/C16H10FN3O/c17-12-4-1-10(2-5-12)16-13-9-11(14-7-8-18-19-14)3-6-15(13)20-21-16/h1-9H,(H,18,19)
InChIKeyCJZJMJOIVKUBPP-UHFFFAOYSA-N
XLogP4.02
TPSA54.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.27
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-5-(1H-pyrazol-5-yl)-2,1-benzoxazole?
The IUPAC name of 3-(4-fluorophenyl)-5-(1H-pyrazol-5-yl)-2,1-benzoxazole (CID 1474300) is 3-(4-fluorophenyl)-5-(1H-pyrazol-5-yl)-2,1-benzoxazole.
What is the SMILES notation for 3-(4-fluorophenyl)-5-(1H-pyrazol-5-yl)-2,1-benzoxazole?
The canonical SMILES for 3-(4-fluorophenyl)-5-(1H-pyrazol-5-yl)-2,1-benzoxazole is Fc1ccc(-c2onc3ccc(-c4ccn[nH]4)cc23)cc1.
What is the InChIKey of 3-(4-fluorophenyl)-5-(1H-pyrazol-5-yl)-2,1-benzoxazole?
The InChIKey is CJZJMJOIVKUBPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10FN3O/c17-12-4-1-10(2-5-12)16-13-9-11(14-7-8-18-19-14)3-6-15(13)20-21-16/h1-9H,(H,18,19).
What are the key properties of 3-(4-fluorophenyl)-5-(1H-pyrazol-5-yl)-2,1-benzoxazole?
3-(4-fluorophenyl)-5-(1H-pyrazol-5-yl)-2,1-benzoxazole has a molecular weight of 279.27 g/mol, XLogP of 4.02, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-5-(1H-pyrazol-5-yl)-2,1-benzoxazole is sourced from PubChem (CID 1474300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).