2-[4-(indazol-1-ylmethyl)phenyl]-4-(pyrrolidin-1-ylmethyl)-1,3-oxazole

C22H22N4O — CID 25204504

IUPAC2-[4-(indazol-1-ylmethyl)phenyl]-4-(pyrrolidin-1-ylmethyl)-1,3-oxazole
SMILESc1ccc2c(c1)cnn2Cc1ccc(-c2nc(CN3CCCC3)co2)cc1
InChIInChI=1S/C22H22N4O/c1-2-6-21-19(5-1)13-23-26(21)14-17-7-9-18(10-8-17)22-24-20(16-27-22)15-25-11-3-4-12-25/h1-2,5-10,13,16H,3-4,11-12,14-15H2
InChIKeyHVOKIPCDRJBSSG-UHFFFAOYSA-N
MW358.44 g/mol
LogP4.34
Rot. Bonds5

About 2-[4-(indazol-1-ylmethyl)phenyl]-4-(pyrrolidin-1-ylmethyl)-1,3-oxazole

2-[4-(indazol-1-ylmethyl)phenyl]-4-(pyrrolidin-1-ylmethyl)-1,3-oxazole (PubChem CID 25204504) has the molecular formula C22H22N4O and a molecular weight of 358.44 g/mol. Its IUPAC name is 2-[4-(indazol-1-ylmethyl)phenyl]-4-(pyrrolidin-1-ylmethyl)-1,3-oxazole.

Molecular Properties

Compound Name2-[4-(indazol-1-ylmethyl)phenyl]-4-(pyrrolidin-1-ylmethyl)-1,3-oxazole
PubChem CID25204504
Molecular FormulaC22H22N4O
Molecular Weight358.44 g/mol
Exact Mass358.18
IUPAC Name2-[4-(indazol-1-ylmethyl)phenyl]-4-(pyrrolidin-1-ylmethyl)-1,3-oxazole
SMILESc1ccc2c(c1)cnn2Cc1ccc(-c2nc(CN3CCCC3)co2)cc1
InChIInChI=1S/C22H22N4O/c1-2-6-21-19(5-1)13-23-26(21)14-17-7-9-18(10-8-17)22-24-20(16-27-22)15-25-11-3-4-12-25/h1-2,5-10,13,16H,3-4,11-12,14-15H2
InChIKeyHVOKIPCDRJBSSG-UHFFFAOYSA-N
XLogP4.34
TPSA47.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.44
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(indazol-1-ylmethyl)phenyl]-4-(pyrrolidin-1-ylmethyl)-1,3-oxazole?
The IUPAC name of 2-[4-(indazol-1-ylmethyl)phenyl]-4-(pyrrolidin-1-ylmethyl)-1,3-oxazole (CID 25204504) is 2-[4-(indazol-1-ylmethyl)phenyl]-4-(pyrrolidin-1-ylmethyl)-1,3-oxazole.
What is the SMILES notation for 2-[4-(indazol-1-ylmethyl)phenyl]-4-(pyrrolidin-1-ylmethyl)-1,3-oxazole?
The canonical SMILES for 2-[4-(indazol-1-ylmethyl)phenyl]-4-(pyrrolidin-1-ylmethyl)-1,3-oxazole is c1ccc2c(c1)cnn2Cc1ccc(-c2nc(CN3CCCC3)co2)cc1.
What is the InChIKey of 2-[4-(indazol-1-ylmethyl)phenyl]-4-(pyrrolidin-1-ylmethyl)-1,3-oxazole?
The InChIKey is HVOKIPCDRJBSSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O/c1-2-6-21-19(5-1)13-23-26(21)14-17-7-9-18(10-8-17)22-24-20(16-27-22)15-25-11-3-4-12-25/h1-2,5-10,13,16H,3-4,11-12,14-15H2.
What are the key properties of 2-[4-(indazol-1-ylmethyl)phenyl]-4-(pyrrolidin-1-ylmethyl)-1,3-oxazole?
2-[4-(indazol-1-ylmethyl)phenyl]-4-(pyrrolidin-1-ylmethyl)-1,3-oxazole has a molecular weight of 358.44 g/mol, XLogP of 4.34, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(indazol-1-ylmethyl)phenyl]-4-(pyrrolidin-1-ylmethyl)-1,3-oxazole is sourced from PubChem (CID 25204504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).