2-(1H-pyrazol-4-yl)-1,3-benzoxazol-5-ol

C10H7N3O2 — CID 102099634

IUPAC2-(1H-pyrazol-4-yl)-1,3-benzoxazol-5-ol
SMILESOc1ccc2oc(-c3cn[nH]c3)nc2c1
InChIInChI=1S/C10H7N3O2/c14-7-1-2-9-8(3-7)13-10(15-9)6-4-11-12-5-6/h1-5,14H,(H,11,12)
InChIKeyXEGPDRRDMJWUKE-UHFFFAOYSA-N
MW201.19 g/mol
LogP1.92
Rot. Bonds1

About 2-(1H-pyrazol-4-yl)-1,3-benzoxazol-5-ol

2-(1H-pyrazol-4-yl)-1,3-benzoxazol-5-ol (PubChem CID 102099634) has the molecular formula C10H7N3O2 and a molecular weight of 201.19 g/mol. Its IUPAC name is 2-(1H-pyrazol-4-yl)-1,3-benzoxazol-5-ol.

Molecular Properties

Compound Name2-(1H-pyrazol-4-yl)-1,3-benzoxazol-5-ol
PubChem CID102099634
Molecular FormulaC10H7N3O2
Molecular Weight201.19 g/mol
Exact Mass201.05
IUPAC Name2-(1H-pyrazol-4-yl)-1,3-benzoxazol-5-ol
SMILESOc1ccc2oc(-c3cn[nH]c3)nc2c1
InChIInChI=1S/C10H7N3O2/c14-7-1-2-9-8(3-7)13-10(15-9)6-4-11-12-5-6/h1-5,14H,(H,11,12)
InChIKeyXEGPDRRDMJWUKE-UHFFFAOYSA-N
XLogP1.92
TPSA74.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.19
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-fluorophenyl)-1,3-benzoxazol-5-ol
CID 3625866
2-[4-(2-methoxyphenyl)phenyl]-1,3-benzoxazol-5-ol
CID 118228942
2-methyl-1,3-benzoxazol-5-ol
CID 10888073
3,5-bis(1,3-benzoxazol-2-yl)phenol
CID 17341213
3-(5-amino-1,3-benzoxazol-2-yl)phenol
CID 131880958
2-(4-hydroxyphenyl)-1,3-benzoxazole-5-carboxylic acid
CID 136693571
4-(5-ethyl-1,3-benzoxazol-2-yl)phenol
CID 136658114
5-(5-chloro-1,3-benzoxazol-2-yl)-1H-pyrimidin-2-one
CID 606459
2-(difluoromethyl)-1,3-benzoxazol-5-ol
CID 118843102
4-(6-phenyl-[1,3]oxazolo[4,5-f][1,3]benzoxazol-2-yl)phenol
CID 143547585
5-[3-(1H-pyrazol-4-yl)quinoxalin-6-yl]-1,3-benzoxazol-2-amine
CID 71037656
6-bromo-2-(4-hydroxyphenyl)-1,3-benzoxazol-5-ol
CID 135830954

Frequently Asked Questions

What is the IUPAC name of 2-(1H-pyrazol-4-yl)-1,3-benzoxazol-5-ol?
The IUPAC name of 2-(1H-pyrazol-4-yl)-1,3-benzoxazol-5-ol (CID 102099634) is 2-(1H-pyrazol-4-yl)-1,3-benzoxazol-5-ol.
What is the SMILES notation for 2-(1H-pyrazol-4-yl)-1,3-benzoxazol-5-ol?
The canonical SMILES for 2-(1H-pyrazol-4-yl)-1,3-benzoxazol-5-ol is Oc1ccc2oc(-c3cn[nH]c3)nc2c1.
What is the InChIKey of 2-(1H-pyrazol-4-yl)-1,3-benzoxazol-5-ol?
The InChIKey is XEGPDRRDMJWUKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7N3O2/c14-7-1-2-9-8(3-7)13-10(15-9)6-4-11-12-5-6/h1-5,14H,(H,11,12).
What are the key properties of 2-(1H-pyrazol-4-yl)-1,3-benzoxazol-5-ol?
2-(1H-pyrazol-4-yl)-1,3-benzoxazol-5-ol has a molecular weight of 201.19 g/mol, XLogP of 1.92, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-pyrazol-4-yl)-1,3-benzoxazol-5-ol is sourced from PubChem (CID 102099634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).