[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-(1-propan-2-ylpyrazol-4-yl)methanone

C19H22N4O2 — CID 70737545

IUPAC[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-(1-propan-2-ylpyrazol-4-yl)methanone
SMILESCC(C)n1cc(C(=O)N2CCC(c3nc4ccccc4o3)CC2)cn1
InChIInChI=1S/C19H22N4O2/c1-13(2)23-12-15(11-20-23)19(24)22-9-7-14(8-10-22)18-21-16-5-3-4-6-17(16)25-18/h3-6,11-14H,7-10H2,1-2H3
InChIKeyYZGBURZTXNUURT-UHFFFAOYSA-N
MW338.41 g/mol
LogP3.62
Rot. Bonds3

About [4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-(1-propan-2-ylpyrazol-4-yl)methanone

[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-(1-propan-2-ylpyrazol-4-yl)methanone (PubChem CID 70737545) has the molecular formula C19H22N4O2 and a molecular weight of 338.41 g/mol. Its IUPAC name is [4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-(1-propan-2-ylpyrazol-4-yl)methanone.

Molecular Properties

Compound Name[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-(1-propan-2-ylpyrazol-4-yl)methanone
PubChem CID70737545
Molecular FormulaC19H22N4O2
Molecular Weight338.41 g/mol
Exact Mass338.17
IUPAC Name[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-(1-propan-2-ylpyrazol-4-yl)methanone
SMILESCC(C)n1cc(C(=O)N2CCC(c3nc4ccccc4o3)CC2)cn1
InChIInChI=1S/C19H22N4O2/c1-13(2)23-12-15(11-20-23)19(24)22-9-7-14(8-10-22)18-21-16-5-3-4-6-17(16)25-18/h3-6,11-14H,7-10H2,1-2H3
InChIKeyYZGBURZTXNUURT-UHFFFAOYSA-N
XLogP3.62
TPSA64.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-(1-propan-2-ylpyrazol-4-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-(1-propan-2-ylpyrazol-4-yl)methanone?
The IUPAC name of [4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-(1-propan-2-ylpyrazol-4-yl)methanone (CID 70737545) is [4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-(1-propan-2-ylpyrazol-4-yl)methanone.
What is the SMILES notation for [4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-(1-propan-2-ylpyrazol-4-yl)methanone?
The canonical SMILES for [4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-(1-propan-2-ylpyrazol-4-yl)methanone is CC(C)n1cc(C(=O)N2CCC(c3nc4ccccc4o3)CC2)cn1.
What is the InChIKey of [4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-(1-propan-2-ylpyrazol-4-yl)methanone?
The InChIKey is YZGBURZTXNUURT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O2/c1-13(2)23-12-15(11-20-23)19(24)22-9-7-14(8-10-22)18-21-16-5-3-4-6-17(16)25-18/h3-6,11-14H,7-10H2,1-2H3.
What are the key properties of [4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-(1-propan-2-ylpyrazol-4-yl)methanone?
[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-(1-propan-2-ylpyrazol-4-yl)methanone has a molecular weight of 338.41 g/mol, XLogP of 3.62, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-(1-propan-2-ylpyrazol-4-yl)methanone is sourced from PubChem (CID 70737545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).