6-(1H-pyrazol-4-yl)-1,3-benzoxazole

C10H7N3O — CID 67417079

IUPAC6-(1H-pyrazol-4-yl)-1,3-benzoxazole
SMILESc1nc2ccc(-c3cn[nH]c3)cc2o1
InChIInChI=1S/C10H7N3O/c1-2-9-10(14-6-11-9)3-7(1)8-4-12-13-5-8/h1-6H,(H,12,13)
InChIKeyXVTUURZXXGUICT-UHFFFAOYSA-N
MW185.19 g/mol
LogP2.22
Rot. Bonds1

About 6-(1H-pyrazol-4-yl)-1,3-benzoxazole

6-(1H-pyrazol-4-yl)-1,3-benzoxazole (PubChem CID 67417079) has the molecular formula C10H7N3O and a molecular weight of 185.19 g/mol. Its IUPAC name is 6-(1H-pyrazol-4-yl)-1,3-benzoxazole.

Molecular Properties

Compound Name6-(1H-pyrazol-4-yl)-1,3-benzoxazole
PubChem CID67417079
Molecular FormulaC10H7N3O
Molecular Weight185.19 g/mol
Exact Mass185.06
IUPAC Name6-(1H-pyrazol-4-yl)-1,3-benzoxazole
SMILESc1nc2ccc(-c3cn[nH]c3)cc2o1
InChIInChI=1S/C10H7N3O/c1-2-9-10(14-6-11-9)3-7(1)8-4-12-13-5-8/h1-6H,(H,12,13)
InChIKeyXVTUURZXXGUICT-UHFFFAOYSA-N
XLogP2.22
TPSA54.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.19
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-phenyl-1,3-benzoxazole
CID 19026755
4-[7-(1H-pyrazol-4-yl)naphthalen-2-yl]-1H-pyrazole
CID 168867710
4-(1H-pyrazol-4-yl)-1H-pyrazole
CID 2422340
4-(1,3-benzoxazol-6-yl)-3H-1,3-thiazol-2-one
CID 116966108
4-(1,3-benzoxazol-6-yl)pyrimidin-2-amine
CID 116900490
6-(2-fluorophenyl)-1,3-benzoxazole
CID 150527958
5-[3-(1H-pyrazol-4-yl)quinoxalin-6-yl]-1,3-benzoxazol-2-amine
CID 71037656
6-(1H-pyrrolo[2,3-c]pyridin-4-yl)-1,3-benzoxazole
CID 171099892
1,3-benzoxazol-6-amine
CID 584120
4-(4-fluorophenyl)-1H-pyrazole
CID 15376482
1-[5-(1,3-benzoxazol-6-yl)-1H-imidazol-2-yl]propan-2-amine
CID 116876724
6-prop-2-ynoxy-1,3-benzoxazole
CID 117098389

Frequently Asked Questions

What is the IUPAC name of 6-(1H-pyrazol-4-yl)-1,3-benzoxazole?
The IUPAC name of 6-(1H-pyrazol-4-yl)-1,3-benzoxazole (CID 67417079) is 6-(1H-pyrazol-4-yl)-1,3-benzoxazole.
What is the SMILES notation for 6-(1H-pyrazol-4-yl)-1,3-benzoxazole?
The canonical SMILES for 6-(1H-pyrazol-4-yl)-1,3-benzoxazole is c1nc2ccc(-c3cn[nH]c3)cc2o1.
What is the InChIKey of 6-(1H-pyrazol-4-yl)-1,3-benzoxazole?
The InChIKey is XVTUURZXXGUICT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7N3O/c1-2-9-10(14-6-11-9)3-7(1)8-4-12-13-5-8/h1-6H,(H,12,13).
What are the key properties of 6-(1H-pyrazol-4-yl)-1,3-benzoxazole?
6-(1H-pyrazol-4-yl)-1,3-benzoxazole has a molecular weight of 185.19 g/mol, XLogP of 2.22, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1H-pyrazol-4-yl)-1,3-benzoxazole is sourced from PubChem (CID 67417079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).