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

C10H6FN3O — CID 25104128

IUPAC5-fluoro-2-(1H-pyrazol-5-yl)-1,3-benzoxazole
SMILESFc1ccc2oc(-c3ccn[nH]3)nc2c1
InChIInChI=1S/C10H6FN3O/c11-6-1-2-9-8(5-6)13-10(15-9)7-3-4-12-14-7/h1-5H,(H,12,14)
InChIKeyFDMIZMFLPFVFJL-UHFFFAOYSA-N
MW203.18 g/mol
LogP2.36
Rot. Bonds1

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

5-fluoro-2-(1H-pyrazol-5-yl)-1,3-benzoxazole (PubChem CID 25104128) has the molecular formula C10H6FN3O and a molecular weight of 203.18 g/mol. Its IUPAC name is 5-fluoro-2-(1H-pyrazol-5-yl)-1,3-benzoxazole.

Molecular Properties

Compound Name5-fluoro-2-(1H-pyrazol-5-yl)-1,3-benzoxazole
PubChem CID25104128
Molecular FormulaC10H6FN3O
Molecular Weight203.18 g/mol
Exact Mass203.05
IUPAC Name5-fluoro-2-(1H-pyrazol-5-yl)-1,3-benzoxazole
SMILESFc1ccc2oc(-c3ccn[nH]3)nc2c1
InChIInChI=1S/C10H6FN3O/c11-6-1-2-9-8(5-6)13-10(15-9)7-3-4-12-14-7/h1-5H,(H,12,14)
InChIKeyFDMIZMFLPFVFJL-UHFFFAOYSA-N
XLogP2.36
TPSA54.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.18
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1H-Pyrazol-3-yl)benzoxazole
CID 25104005
2-(1H-Pyrazol-4-yl)-benzoxazole
CID 904187
6-chloro-2-(1H-pyrazol-5-yl)-1,3-benzoxazole
CID 25104007
5-chloro-2-(1H-pyrazol-5-yl)-1,3-benzoxazole
CID 25104008
6-fluoro-2-(1H-pyrazol-5-yl)-1,3-benzoxazole
CID 25104130
6-chloro-2-(5-chloro-1H-pyrazol-3-yl)-1,3-benzoxazole
CID 122185527
6-chloro-2-(4,5-dichloro-1H-pyrazol-3-yl)-1,3-benzoxazole
CID 122185528
(E)-3-[1-(1,3-benzoxazol-2-ylmethyl)triazol-4-yl]-N-hydroxyprop-2-enamide
CID 135985827
(E)-3-[1-[1-(1,3-benzoxazol-2-yl)ethyl]triazol-4-yl]-N-hydroxyprop-2-enamide
CID 135985857
2-Pyridin-2-yl-benzooxazol-5-ylamine
CID 611070
N-(2-methyl-1,3-benzoxazol-5-yl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 26698851
2-[1-(3,4-Difluorophenyl)pyrazol-4-yl]-1,3-benzoxazole
CID 49866151

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-(1H-pyrazol-5-yl)-1,3-benzoxazole?
The IUPAC name of 5-fluoro-2-(1H-pyrazol-5-yl)-1,3-benzoxazole (CID 25104128) is 5-fluoro-2-(1H-pyrazol-5-yl)-1,3-benzoxazole.
What is the SMILES notation for 5-fluoro-2-(1H-pyrazol-5-yl)-1,3-benzoxazole?
The canonical SMILES for 5-fluoro-2-(1H-pyrazol-5-yl)-1,3-benzoxazole is Fc1ccc2oc(-c3ccn[nH]3)nc2c1.
What is the InChIKey of 5-fluoro-2-(1H-pyrazol-5-yl)-1,3-benzoxazole?
The InChIKey is FDMIZMFLPFVFJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6FN3O/c11-6-1-2-9-8(5-6)13-10(15-9)7-3-4-12-14-7/h1-5H,(H,12,14).
What are the key properties of 5-fluoro-2-(1H-pyrazol-5-yl)-1,3-benzoxazole?
5-fluoro-2-(1H-pyrazol-5-yl)-1,3-benzoxazole has a molecular weight of 203.18 g/mol, XLogP of 2.36, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-(1H-pyrazol-5-yl)-1,3-benzoxazole is sourced from PubChem (CID 25104128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).