2-(5-chloro-1H-pyrazol-3-yl)-5-fluoro-1,3-benzoxazole

C10H5ClFN3O — CID 25104132

IUPAC2-(5-chloro-1H-pyrazol-3-yl)-5-fluoro-1,3-benzoxazole
SMILESFc1ccc2oc(-c3cc(Cl)[nH]n3)nc2c1
InChIInChI=1S/C10H5ClFN3O/c11-9-4-7(14-15-9)10-13-6-3-5(12)1-2-8(6)16-10/h1-4H,(H,14,15)
InChIKeyOKRDKRWJABMKCT-UHFFFAOYSA-N
MW237.62 g/mol
LogP3.01
Rot. Bonds1

About 2-(5-chloro-1H-pyrazol-3-yl)-5-fluoro-1,3-benzoxazole

2-(5-chloro-1H-pyrazol-3-yl)-5-fluoro-1,3-benzoxazole (PubChem CID 25104132) has the molecular formula C10H5ClFN3O and a molecular weight of 237.62 g/mol. Its IUPAC name is 2-(5-chloro-1H-pyrazol-3-yl)-5-fluoro-1,3-benzoxazole.

Molecular Properties

Compound Name2-(5-chloro-1H-pyrazol-3-yl)-5-fluoro-1,3-benzoxazole
PubChem CID25104132
Molecular FormulaC10H5ClFN3O
Molecular Weight237.62 g/mol
Exact Mass237.01
IUPAC Name2-(5-chloro-1H-pyrazol-3-yl)-5-fluoro-1,3-benzoxazole
SMILESFc1ccc2oc(-c3cc(Cl)[nH]n3)nc2c1
InChIInChI=1S/C10H5ClFN3O/c11-9-4-7(14-15-9)10-13-6-3-5(12)1-2-8(6)16-10/h1-4H,(H,14,15)
InChIKeyOKRDKRWJABMKCT-UHFFFAOYSA-N
XLogP3.01
TPSA54.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.62
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-1H-pyrazol-3-yl)-5-fluoro-1,3-benzoxazole?
The IUPAC name of 2-(5-chloro-1H-pyrazol-3-yl)-5-fluoro-1,3-benzoxazole (CID 25104132) is 2-(5-chloro-1H-pyrazol-3-yl)-5-fluoro-1,3-benzoxazole.
What is the SMILES notation for 2-(5-chloro-1H-pyrazol-3-yl)-5-fluoro-1,3-benzoxazole?
The canonical SMILES for 2-(5-chloro-1H-pyrazol-3-yl)-5-fluoro-1,3-benzoxazole is Fc1ccc2oc(-c3cc(Cl)[nH]n3)nc2c1.
What is the InChIKey of 2-(5-chloro-1H-pyrazol-3-yl)-5-fluoro-1,3-benzoxazole?
The InChIKey is OKRDKRWJABMKCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5ClFN3O/c11-9-4-7(14-15-9)10-13-6-3-5(12)1-2-8(6)16-10/h1-4H,(H,14,15).
What are the key properties of 2-(5-chloro-1H-pyrazol-3-yl)-5-fluoro-1,3-benzoxazole?
2-(5-chloro-1H-pyrazol-3-yl)-5-fluoro-1,3-benzoxazole has a molecular weight of 237.62 g/mol, XLogP of 3.01, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-1H-pyrazol-3-yl)-5-fluoro-1,3-benzoxazole is sourced from PubChem (CID 25104132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).