3-[1-[(1-methylpyrazol-4-yl)methyl]piperidin-3-yl]-1,3-benzoxazol-2-one

C17H20N4O2 — CID 110219629

IUPAC3-[1-[(1-methylpyrazol-4-yl)methyl]piperidin-3-yl]-1,3-benzoxazol-2-one
SMILESCn1cc(CN2CCCC(n3c(=O)oc4ccccc43)C2)cn1
InChIInChI=1S/C17H20N4O2/c1-19-10-13(9-18-19)11-20-8-4-5-14(12-20)21-15-6-2-3-7-16(15)23-17(21)22/h2-3,6-7,9-10,14H,4-5,8,11-12H2,1H3
InChIKeyRLIMFTVOGYZIJC-UHFFFAOYSA-N
MW312.37 g/mol
LogP2.17
Rot. Bonds3

About 3-[1-[(1-methylpyrazol-4-yl)methyl]piperidin-3-yl]-1,3-benzoxazol-2-one

3-[1-[(1-methylpyrazol-4-yl)methyl]piperidin-3-yl]-1,3-benzoxazol-2-one (PubChem CID 110219629) has the molecular formula C17H20N4O2 and a molecular weight of 312.37 g/mol. Its IUPAC name is 3-[1-[(1-methylpyrazol-4-yl)methyl]piperidin-3-yl]-1,3-benzoxazol-2-one.

Molecular Properties

Compound Name3-[1-[(1-methylpyrazol-4-yl)methyl]piperidin-3-yl]-1,3-benzoxazol-2-one
PubChem CID110219629
Molecular FormulaC17H20N4O2
Molecular Weight312.37 g/mol
Exact Mass312.16
IUPAC Name3-[1-[(1-methylpyrazol-4-yl)methyl]piperidin-3-yl]-1,3-benzoxazol-2-one
SMILESCn1cc(CN2CCCC(n3c(=O)oc4ccccc43)C2)cn1
InChIInChI=1S/C17H20N4O2/c1-19-10-13(9-18-19)11-20-8-4-5-14(12-20)21-15-6-2-3-7-16(15)23-17(21)22/h2-3,6-7,9-10,14H,4-5,8,11-12H2,1H3
InChIKeyRLIMFTVOGYZIJC-UHFFFAOYSA-N
XLogP2.17
TPSA56.20 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 3-[1-[(1-methylpyrazol-4-yl)methyl]piperidin-3-yl]-1,3-benzoxazol-2-one 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 3-[1-[(1-methylpyrazol-4-yl)methyl]piperidin-3-yl]-1,3-benzoxazol-2-one?
The IUPAC name of 3-[1-[(1-methylpyrazol-4-yl)methyl]piperidin-3-yl]-1,3-benzoxazol-2-one (CID 110219629) is 3-[1-[(1-methylpyrazol-4-yl)methyl]piperidin-3-yl]-1,3-benzoxazol-2-one.
What is the SMILES notation for 3-[1-[(1-methylpyrazol-4-yl)methyl]piperidin-3-yl]-1,3-benzoxazol-2-one?
The canonical SMILES for 3-[1-[(1-methylpyrazol-4-yl)methyl]piperidin-3-yl]-1,3-benzoxazol-2-one is Cn1cc(CN2CCCC(n3c(=O)oc4ccccc43)C2)cn1.
What is the InChIKey of 3-[1-[(1-methylpyrazol-4-yl)methyl]piperidin-3-yl]-1,3-benzoxazol-2-one?
The InChIKey is RLIMFTVOGYZIJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O2/c1-19-10-13(9-18-19)11-20-8-4-5-14(12-20)21-15-6-2-3-7-16(15)23-17(21)22/h2-3,6-7,9-10,14H,4-5,8,11-12H2,1H3.
What are the key properties of 3-[1-[(1-methylpyrazol-4-yl)methyl]piperidin-3-yl]-1,3-benzoxazol-2-one?
3-[1-[(1-methylpyrazol-4-yl)methyl]piperidin-3-yl]-1,3-benzoxazol-2-one has a molecular weight of 312.37 g/mol, XLogP of 2.17, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[(1-methylpyrazol-4-yl)methyl]piperidin-3-yl]-1,3-benzoxazol-2-one is sourced from PubChem (CID 110219629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).