2-cyclopropyl-5-[3-(1H-pyrazol-5-yl)phenyl]-1,3-benzoxazole

C19H15N3O — CID 31160570

IUPAC2-cyclopropyl-5-[3-(1H-pyrazol-5-yl)phenyl]-1,3-benzoxazole
SMILESc1cc(-c2ccc3oc(C4CC4)nc3c2)cc(-c2ccn[nH]2)c1
InChIInChI=1S/C19H15N3O/c1-2-13(10-15(3-1)16-8-9-20-22-16)14-6-7-18-17(11-14)21-19(23-18)12-4-5-12/h1-3,6-12H,4-5H2,(H,20,22)
InChIKeyGVQOTAWIYOHAPR-UHFFFAOYSA-N
MW301.35 g/mol
LogP4.76
Rot. Bonds3

About 2-cyclopropyl-5-[3-(1H-pyrazol-5-yl)phenyl]-1,3-benzoxazole

2-cyclopropyl-5-[3-(1H-pyrazol-5-yl)phenyl]-1,3-benzoxazole (PubChem CID 31160570) has the molecular formula C19H15N3O and a molecular weight of 301.35 g/mol. Its IUPAC name is 2-cyclopropyl-5-[3-(1H-pyrazol-5-yl)phenyl]-1,3-benzoxazole.

Molecular Properties

Compound Name2-cyclopropyl-5-[3-(1H-pyrazol-5-yl)phenyl]-1,3-benzoxazole
PubChem CID31160570
Molecular FormulaC19H15N3O
Molecular Weight301.35 g/mol
Exact Mass301.12
IUPAC Name2-cyclopropyl-5-[3-(1H-pyrazol-5-yl)phenyl]-1,3-benzoxazole
SMILESc1cc(-c2ccc3oc(C4CC4)nc3c2)cc(-c2ccn[nH]2)c1
InChIInChI=1S/C19H15N3O/c1-2-13(10-15(3-1)16-8-9-20-22-16)14-6-7-18-17(11-14)21-19(23-18)12-4-5-12/h1-3,6-12H,4-5H2,(H,20,22)
InChIKeyGVQOTAWIYOHAPR-UHFFFAOYSA-N
XLogP4.76
TPSA54.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-5-[3-(1H-pyrazol-5-yl)phenyl]-1,3-benzoxazole?
The IUPAC name of 2-cyclopropyl-5-[3-(1H-pyrazol-5-yl)phenyl]-1,3-benzoxazole (CID 31160570) is 2-cyclopropyl-5-[3-(1H-pyrazol-5-yl)phenyl]-1,3-benzoxazole.
What is the SMILES notation for 2-cyclopropyl-5-[3-(1H-pyrazol-5-yl)phenyl]-1,3-benzoxazole?
The canonical SMILES for 2-cyclopropyl-5-[3-(1H-pyrazol-5-yl)phenyl]-1,3-benzoxazole is c1cc(-c2ccc3oc(C4CC4)nc3c2)cc(-c2ccn[nH]2)c1.
What is the InChIKey of 2-cyclopropyl-5-[3-(1H-pyrazol-5-yl)phenyl]-1,3-benzoxazole?
The InChIKey is GVQOTAWIYOHAPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N3O/c1-2-13(10-15(3-1)16-8-9-20-22-16)14-6-7-18-17(11-14)21-19(23-18)12-4-5-12/h1-3,6-12H,4-5H2,(H,20,22).
What are the key properties of 2-cyclopropyl-5-[3-(1H-pyrazol-5-yl)phenyl]-1,3-benzoxazole?
2-cyclopropyl-5-[3-(1H-pyrazol-5-yl)phenyl]-1,3-benzoxazole has a molecular weight of 301.35 g/mol, XLogP of 4.76, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-5-[3-(1H-pyrazol-5-yl)phenyl]-1,3-benzoxazole is sourced from PubChem (CID 31160570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).