2-methyl-N-[3-(pyrrolidin-1-ylmethyl)-4,5,6,7-tetrahydro-1,2-benzoxazol-5-yl]benzamide

C20H25N3O2 — CID 155871203

IUPAC2-methyl-N-[3-(pyrrolidin-1-ylmethyl)-4,5,6,7-tetrahydro-1,2-benzoxazol-5-yl]benzamide
SMILESCc1ccccc1C(=O)NC1CCc2onc(CN3CCCC3)c2C1
InChIInChI=1S/C20H25N3O2/c1-14-6-2-3-7-16(14)20(24)21-15-8-9-19-17(12-15)18(22-25-19)13-23-10-4-5-11-23/h2-3,6-7,15H,4-5,8-13H2,1H3,(H,21,24)
InChIKeyWAQJQIRMRKTYNK-UHFFFAOYSA-N
MW339.44 g/mol
LogP2.87
Rot. Bonds4

About 2-methyl-N-[3-(pyrrolidin-1-ylmethyl)-4,5,6,7-tetrahydro-1,2-benzoxazol-5-yl]benzamide

2-methyl-N-[3-(pyrrolidin-1-ylmethyl)-4,5,6,7-tetrahydro-1,2-benzoxazol-5-yl]benzamide (PubChem CID 155871203) has the molecular formula C20H25N3O2 and a molecular weight of 339.44 g/mol. Its IUPAC name is 2-methyl-N-[3-(pyrrolidin-1-ylmethyl)-4,5,6,7-tetrahydro-1,2-benzoxazol-5-yl]benzamide.

Molecular Properties

Compound Name2-methyl-N-[3-(pyrrolidin-1-ylmethyl)-4,5,6,7-tetrahydro-1,2-benzoxazol-5-yl]benzamide
PubChem CID155871203
Molecular FormulaC20H25N3O2
Molecular Weight339.44 g/mol
Exact Mass339.19
IUPAC Name2-methyl-N-[3-(pyrrolidin-1-ylmethyl)-4,5,6,7-tetrahydro-1,2-benzoxazol-5-yl]benzamide
SMILESCc1ccccc1C(=O)NC1CCc2onc(CN3CCCC3)c2C1
InChIInChI=1S/C20H25N3O2/c1-14-6-2-3-7-16(14)20(24)21-15-8-9-19-17(12-15)18(22-25-19)13-23-10-4-5-11-23/h2-3,6-7,15H,4-5,8-13H2,1H3,(H,21,24)
InChIKeyWAQJQIRMRKTYNK-UHFFFAOYSA-N
XLogP2.87
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-methyl-N-[3-(pyrrolidin-1-ylmethyl)-4,5,6,7-tetrahydro-1,2-benzoxazol-5-yl]benzamide with MolForge

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

Launch Full Analysis

Related Compounds

N-[3-(pyrrolidin-1-ylmethyl)-4,5,6,7-tetrahydro-1,2-benzoxazol-5-yl]pyridine-3-carboxamide
CID 155875834
2-methyl-N-[3-(pyrrolidin-1-ylmethyl)-4,5,6,7-tetrahydro-1,2-benzoxazol-5-yl]-1,3-thiazole-4-carboxamide
CID 155871562
N-[3-(morpholin-4-ylmethyl)-4,5,6,7-tetrahydro-1,2-benzoxazol-5-yl]pyridine-2-carboxamide
CID 155870871
2-(oxan-4-yl)-N-[3-(pyrrolidin-1-ylmethyl)-4,5,6,7-tetrahydro-1,2-benzoxazol-5-yl]acetamide
CID 155871345
formic acid;5-methyl-N-[3-(morpholin-4-ylmethyl)-4,5,6,7-tetrahydro-1,2-benzoxazol-5-yl]pyridine-3-carboxamide
CID 155871264
2-fluoro-N-[3-(pyrrolidine-1-carbonyl)-4,5,6,7-tetrahydro-1,2-benzoxazol-5-yl]benzamide
CID 155871322
1-methyl-N-[1-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-ylmethyl)piperidin-4-yl]pyrrole-2-carboxamide
CID 75370193
N-(1-benzylpiperidin-3-yl)-2-methylbenzamide
CID 42958722
3-(pyrrolidin-1-ylmethyl)-N-(1,3-thiazol-2-ylmethyl)-4,5,6,7-tetrahydro-1,2-benzoxazol-5-amine
CID 155876054
2-cyclopentyl-N-[3-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]-4,5,6,7-tetrahydro-1,2-benzoxazol-5-yl]acetamide
CID 155878568
N-[1-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-ylmethyl)piperidin-4-yl]cyclobutanecarboxamide
CID 56784377
2-methyl-N-[(2R)-8-(4-methylpiperazin-1-yl)-1,2,3,4-tetrahydronaphthalen-2-yl]benzamide
CID 54135218

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[3-(pyrrolidin-1-ylmethyl)-4,5,6,7-tetrahydro-1,2-benzoxazol-5-yl]benzamide?
The IUPAC name of 2-methyl-N-[3-(pyrrolidin-1-ylmethyl)-4,5,6,7-tetrahydro-1,2-benzoxazol-5-yl]benzamide (CID 155871203) is 2-methyl-N-[3-(pyrrolidin-1-ylmethyl)-4,5,6,7-tetrahydro-1,2-benzoxazol-5-yl]benzamide.
What is the SMILES notation for 2-methyl-N-[3-(pyrrolidin-1-ylmethyl)-4,5,6,7-tetrahydro-1,2-benzoxazol-5-yl]benzamide?
The canonical SMILES for 2-methyl-N-[3-(pyrrolidin-1-ylmethyl)-4,5,6,7-tetrahydro-1,2-benzoxazol-5-yl]benzamide is Cc1ccccc1C(=O)NC1CCc2onc(CN3CCCC3)c2C1.
What is the InChIKey of 2-methyl-N-[3-(pyrrolidin-1-ylmethyl)-4,5,6,7-tetrahydro-1,2-benzoxazol-5-yl]benzamide?
The InChIKey is WAQJQIRMRKTYNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O2/c1-14-6-2-3-7-16(14)20(24)21-15-8-9-19-17(12-15)18(22-25-19)13-23-10-4-5-11-23/h2-3,6-7,15H,4-5,8-13H2,1H3,(H,21,24).
What are the key properties of 2-methyl-N-[3-(pyrrolidin-1-ylmethyl)-4,5,6,7-tetrahydro-1,2-benzoxazol-5-yl]benzamide?
2-methyl-N-[3-(pyrrolidin-1-ylmethyl)-4,5,6,7-tetrahydro-1,2-benzoxazol-5-yl]benzamide has a molecular weight of 339.44 g/mol, XLogP of 2.87, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[3-(pyrrolidin-1-ylmethyl)-4,5,6,7-tetrahydro-1,2-benzoxazol-5-yl]benzamide is sourced from PubChem (CID 155871203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).