2-(1,2-benzoxazol-3-yl)-N-[(4-methoxy-6-piperidin-1-yl-1,3,5-triazin-2-yl)methyl]acetamide

C19H22N6O3 — CID 122253589

IUPAC2-(1,2-benzoxazol-3-yl)-N-[(4-methoxy-6-piperidin-1-yl-1,3,5-triazin-2-yl)methyl]acetamide
SMILESCOc1nc(CNC(=O)Cc2noc3ccccc23)nc(N2CCCCC2)n1
InChIInChI=1S/C19H22N6O3/c1-27-19-22-16(21-18(23-19)25-9-5-2-6-10-25)12-20-17(26)11-14-13-7-3-4-8-15(13)28-24-14/h3-4,7-8H,2,5-6,9-12H2,1H3,(H,20,26)
InChIKeyTWEMVQKRRINXAI-UHFFFAOYSA-N
MW382.42 g/mol
LogP1.87
Rot. Bonds6

About 2-(1,2-benzoxazol-3-yl)-N-[(4-methoxy-6-piperidin-1-yl-1,3,5-triazin-2-yl)methyl]acetamide

2-(1,2-benzoxazol-3-yl)-N-[(4-methoxy-6-piperidin-1-yl-1,3,5-triazin-2-yl)methyl]acetamide (PubChem CID 122253589) has the molecular formula C19H22N6O3 and a molecular weight of 382.42 g/mol. Its IUPAC name is 2-(1,2-benzoxazol-3-yl)-N-[(4-methoxy-6-piperidin-1-yl-1,3,5-triazin-2-yl)methyl]acetamide.

Molecular Properties

Compound Name2-(1,2-benzoxazol-3-yl)-N-[(4-methoxy-6-piperidin-1-yl-1,3,5-triazin-2-yl)methyl]acetamide
PubChem CID122253589
Molecular FormulaC19H22N6O3
Molecular Weight382.42 g/mol
Exact Mass382.18
IUPAC Name2-(1,2-benzoxazol-3-yl)-N-[(4-methoxy-6-piperidin-1-yl-1,3,5-triazin-2-yl)methyl]acetamide
SMILESCOc1nc(CNC(=O)Cc2noc3ccccc23)nc(N2CCCCC2)n1
InChIInChI=1S/C19H22N6O3/c1-27-19-22-16(21-18(23-19)25-9-5-2-6-10-25)12-20-17(26)11-14-13-7-3-4-8-15(13)28-24-14/h3-4,7-8H,2,5-6,9-12H2,1H3,(H,20,26)
InChIKeyTWEMVQKRRINXAI-UHFFFAOYSA-N
XLogP1.87
TPSA106.27 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.42
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 2-(1,2-benzoxazol-3-yl)-N-[(4-methoxy-6-piperidin-1-yl-1,3,5-triazin-2-yl)methyl]acetamide with MolForge

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Related Compounds

2-(1,2-benzoxazol-3-yl)-N-[(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)methyl]acetamide
CID 122317899
N-[(4-methoxy-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)methyl]-2-(1-methylindol-3-yl)acetamide
CID 122253292
N-[(4-methoxy-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)methyl]-3-phenylpropanamide
CID 119099625
N-[(4-methoxy-6-piperidin-1-yl-1,3,5-triazin-2-yl)methyl]furan-2-carboxamide
CID 122253418
N-[(4-methoxy-6-piperidin-1-yl-1,3,5-triazin-2-yl)methyl]-2-pyrimidin-2-yloxyacetamide
CID 122253435
N-[(4-methoxy-6-piperidin-1-yl-1,3,5-triazin-2-yl)methyl]furan-3-carboxamide
CID 122253553
1-[(4-methoxy-6-piperidin-1-yl-1,3,5-triazin-2-yl)methyl]-3-thiophen-2-ylurea
CID 121137743
N-[(4-methoxy-6-piperidin-1-yl-1,3,5-triazin-2-yl)methyl]-2-(4-oxoquinazolin-3-yl)acetamide
CID 122253592
N-[(4-methoxy-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)methyl]acetamide
CID 122253100
N-[(4-methoxy-6-piperidin-1-yl-1,3,5-triazin-2-yl)methyl]-2-(6-oxopyridazin-1-yl)acetamide
CID 122253596
4-fluoro-N-[(4-methoxy-6-piperidin-1-yl-1,3,5-triazin-2-yl)methyl]benzamide
CID 122253401
1-[(4-methoxy-6-piperidin-1-yl-1,3,5-triazin-2-yl)methyl]-3-(2-methylphenyl)urea
CID 122253456

Frequently Asked Questions

What is the IUPAC name of 2-(1,2-benzoxazol-3-yl)-N-[(4-methoxy-6-piperidin-1-yl-1,3,5-triazin-2-yl)methyl]acetamide?
The IUPAC name of 2-(1,2-benzoxazol-3-yl)-N-[(4-methoxy-6-piperidin-1-yl-1,3,5-triazin-2-yl)methyl]acetamide (CID 122253589) is 2-(1,2-benzoxazol-3-yl)-N-[(4-methoxy-6-piperidin-1-yl-1,3,5-triazin-2-yl)methyl]acetamide.
What is the SMILES notation for 2-(1,2-benzoxazol-3-yl)-N-[(4-methoxy-6-piperidin-1-yl-1,3,5-triazin-2-yl)methyl]acetamide?
The canonical SMILES for 2-(1,2-benzoxazol-3-yl)-N-[(4-methoxy-6-piperidin-1-yl-1,3,5-triazin-2-yl)methyl]acetamide is COc1nc(CNC(=O)Cc2noc3ccccc23)nc(N2CCCCC2)n1.
What is the InChIKey of 2-(1,2-benzoxazol-3-yl)-N-[(4-methoxy-6-piperidin-1-yl-1,3,5-triazin-2-yl)methyl]acetamide?
The InChIKey is TWEMVQKRRINXAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N6O3/c1-27-19-22-16(21-18(23-19)25-9-5-2-6-10-25)12-20-17(26)11-14-13-7-3-4-8-15(13)28-24-14/h3-4,7-8H,2,5-6,9-12H2,1H3,(H,20,26).
What are the key properties of 2-(1,2-benzoxazol-3-yl)-N-[(4-methoxy-6-piperidin-1-yl-1,3,5-triazin-2-yl)methyl]acetamide?
2-(1,2-benzoxazol-3-yl)-N-[(4-methoxy-6-piperidin-1-yl-1,3,5-triazin-2-yl)methyl]acetamide has a molecular weight of 382.42 g/mol, XLogP of 1.87, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,2-benzoxazol-3-yl)-N-[(4-methoxy-6-piperidin-1-yl-1,3,5-triazin-2-yl)methyl]acetamide is sourced from PubChem (CID 122253589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).