N-(2-methyl-1,3-benzoxazol-5-yl)-2-[4-[(4-methyl-2-pyridinyl)oxy]piperidin-1-yl]-2-oxoacetamide

C21H22N4O4 — CID 119043464

IUPACN-(2-methyl-1,3-benzoxazol-5-yl)-2-[4-[(4-methyl-2-pyridinyl)oxy]piperidin-1-yl]-2-oxoacetamide
SMILESCc1ccnc(OC2CCN(C(=O)C(=O)Nc3ccc4oc(C)nc4c3)CC2)c1
InChIInChI=1S/C21H22N4O4/c1-13-5-8-22-19(11-13)29-16-6-9-25(10-7-16)21(27)20(26)24-15-3-4-18-17(12-15)23-14(2)28-18/h3-5,8,11-12,16H,6-7,9-10H2,1-2H3,(H,24,26)
InChIKeyHXBVHTLRKVRKDB-UHFFFAOYSA-N
MW394.43 g/mol
LogP2.85
Rot. Bonds3

About N-(2-methyl-1,3-benzoxazol-5-yl)-2-[4-[(4-methyl-2-pyridinyl)oxy]piperidin-1-yl]-2-oxoacetamide

N-(2-methyl-1,3-benzoxazol-5-yl)-2-[4-[(4-methyl-2-pyridinyl)oxy]piperidin-1-yl]-2-oxoacetamide (PubChem CID 119043464) has the molecular formula C21H22N4O4 and a molecular weight of 394.43 g/mol. Its IUPAC name is N-(2-methyl-1,3-benzoxazol-5-yl)-2-[4-[(4-methyl-2-pyridinyl)oxy]piperidin-1-yl]-2-oxoacetamide.

Molecular Properties

Compound NameN-(2-methyl-1,3-benzoxazol-5-yl)-2-[4-[(4-methyl-2-pyridinyl)oxy]piperidin-1-yl]-2-oxoacetamide
PubChem CID119043464
Molecular FormulaC21H22N4O4
Molecular Weight394.43 g/mol
Exact Mass394.16
IUPAC NameN-(2-methyl-1,3-benzoxazol-5-yl)-2-[4-[(4-methyl-2-pyridinyl)oxy]piperidin-1-yl]-2-oxoacetamide
SMILESCc1ccnc(OC2CCN(C(=O)C(=O)Nc3ccc4oc(C)nc4c3)CC2)c1
InChIInChI=1S/C21H22N4O4/c1-13-5-8-22-19(11-13)29-16-6-9-25(10-7-16)21(27)20(26)24-15-3-4-18-17(12-15)23-14(2)28-18/h3-5,8,11-12,16H,6-7,9-10H2,1-2H3,(H,24,26)
InChIKeyHXBVHTLRKVRKDB-UHFFFAOYSA-N
XLogP2.85
TPSA97.56 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.43
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

Analyze N-(2-methyl-1,3-benzoxazol-5-yl)-2-[4-[(4-methyl-2-pyridinyl)oxy]piperidin-1-yl]-2-oxoacetamide 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 N-(2-methyl-1,3-benzoxazol-5-yl)-2-[4-[(4-methyl-2-pyridinyl)oxy]piperidin-1-yl]-2-oxoacetamide?
The IUPAC name of N-(2-methyl-1,3-benzoxazol-5-yl)-2-[4-[(4-methyl-2-pyridinyl)oxy]piperidin-1-yl]-2-oxoacetamide (CID 119043464) is N-(2-methyl-1,3-benzoxazol-5-yl)-2-[4-[(4-methyl-2-pyridinyl)oxy]piperidin-1-yl]-2-oxoacetamide.
What is the SMILES notation for N-(2-methyl-1,3-benzoxazol-5-yl)-2-[4-[(4-methyl-2-pyridinyl)oxy]piperidin-1-yl]-2-oxoacetamide?
The canonical SMILES for N-(2-methyl-1,3-benzoxazol-5-yl)-2-[4-[(4-methyl-2-pyridinyl)oxy]piperidin-1-yl]-2-oxoacetamide is Cc1ccnc(OC2CCN(C(=O)C(=O)Nc3ccc4oc(C)nc4c3)CC2)c1.
What is the InChIKey of N-(2-methyl-1,3-benzoxazol-5-yl)-2-[4-[(4-methyl-2-pyridinyl)oxy]piperidin-1-yl]-2-oxoacetamide?
The InChIKey is HXBVHTLRKVRKDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O4/c1-13-5-8-22-19(11-13)29-16-6-9-25(10-7-16)21(27)20(26)24-15-3-4-18-17(12-15)23-14(2)28-18/h3-5,8,11-12,16H,6-7,9-10H2,1-2H3,(H,24,26).
What are the key properties of N-(2-methyl-1,3-benzoxazol-5-yl)-2-[4-[(4-methyl-2-pyridinyl)oxy]piperidin-1-yl]-2-oxoacetamide?
N-(2-methyl-1,3-benzoxazol-5-yl)-2-[4-[(4-methyl-2-pyridinyl)oxy]piperidin-1-yl]-2-oxoacetamide has a molecular weight of 394.43 g/mol, XLogP of 2.85, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-1,3-benzoxazol-5-yl)-2-[4-[(4-methyl-2-pyridinyl)oxy]piperidin-1-yl]-2-oxoacetamide is sourced from PubChem (CID 119043464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).