2-[4-methyl-N-[(5-methyl-1,3-oxazol-4-yl)methyl]anilino]-1-piperidin-1-ylethanone

C19H25N3O2 — CID 75433703

IUPAC2-[4-methyl-N-[(5-methyl-1,3-oxazol-4-yl)methyl]anilino]-1-piperidin-1-ylethanone
SMILESCc1ccc(N(CC(=O)N2CCCCC2)Cc2ncoc2C)cc1
InChIInChI=1S/C19H25N3O2/c1-15-6-8-17(9-7-15)22(12-18-16(2)24-14-20-18)13-19(23)21-10-4-3-5-11-21/h6-9,14H,3-5,10-13H2,1-2H3
InChIKeyLODPOKBZXUBZDO-UHFFFAOYSA-N
MW327.43 g/mol
LogP3.31
Rot. Bonds5

About 2-[4-methyl-N-[(5-methyl-1,3-oxazol-4-yl)methyl]anilino]-1-piperidin-1-ylethanone

2-[4-methyl-N-[(5-methyl-1,3-oxazol-4-yl)methyl]anilino]-1-piperidin-1-ylethanone (PubChem CID 75433703) has the molecular formula C19H25N3O2 and a molecular weight of 327.43 g/mol. Its IUPAC name is 2-[4-methyl-N-[(5-methyl-1,3-oxazol-4-yl)methyl]anilino]-1-piperidin-1-ylethanone.

Molecular Properties

Compound Name2-[4-methyl-N-[(5-methyl-1,3-oxazol-4-yl)methyl]anilino]-1-piperidin-1-ylethanone
PubChem CID75433703
Molecular FormulaC19H25N3O2
Molecular Weight327.43 g/mol
Exact Mass327.19
IUPAC Name2-[4-methyl-N-[(5-methyl-1,3-oxazol-4-yl)methyl]anilino]-1-piperidin-1-ylethanone
SMILESCc1ccc(N(CC(=O)N2CCCCC2)Cc2ncoc2C)cc1
InChIInChI=1S/C19H25N3O2/c1-15-6-8-17(9-7-15)22(12-18-16(2)24-14-20-18)13-19(23)21-10-4-3-5-11-21/h6-9,14H,3-5,10-13H2,1-2H3
InChIKeyLODPOKBZXUBZDO-UHFFFAOYSA-N
XLogP3.31
TPSA49.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

Analyze 2-[4-methyl-N-[(5-methyl-1,3-oxazol-4-yl)methyl]anilino]-1-piperidin-1-ylethanone 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

2-(4-methyl-N-propylanilino)-1-piperidin-1-ylethanone
CID 86906131
2-(4-methyl-N-(2-morpholin-4-yl-2-oxoethyl)anilino)acetic acid
CID 46299967
2-[N-[[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]methyl]-4-methylanilino]-1-piperidin-1-ylethanone
CID 86937009
2-(4-methyl-N-[2-oxo-2-(5-phenyl-3,4-dihydropyrazol-2-yl)ethyl]anilino)-1-piperidin-1-ylethanone
CID 86906124
N-[(5-chlorothiophen-2-yl)methyl]-2-(4-methyl-N-(2-oxo-2-piperidin-1-ylethyl)anilino)acetamide
CID 86937011
N-(2-ethoxyphenyl)-2-(4-methyl-N-(2-oxo-2-piperidin-1-ylethyl)anilino)acetamide
CID 86906090
N-tert-butyl-2-[methyl-[2-(4-methyl-N-(2-oxo-2-piperidin-1-ylethyl)anilino)acetyl]amino]acetamide
CID 86906125
1-(azepan-1-yl)-2-(N-ethylanilino)ethanone
CID 54808944
2-(4-methyl-N-methylperoxysulfanylanilino)-1-piperidin-1-ylethanone
CID 88576022
2-[4-methyl-N-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]anilino]-1-piperidin-1-ylethanone
CID 86906152
N-(4-methylphenyl)-N-(2-oxo-2-piperidin-1-ylethyl)-3-thiophen-2-ylpropanamide
CID 86934220
2-[[2-(azepan-1-yl)-2-oxoethyl]-methylamino]-N-(4-methylphenyl)acetamide
CID 8588778

Frequently Asked Questions

What is the IUPAC name of 2-[4-methyl-N-[(5-methyl-1,3-oxazol-4-yl)methyl]anilino]-1-piperidin-1-ylethanone?
The IUPAC name of 2-[4-methyl-N-[(5-methyl-1,3-oxazol-4-yl)methyl]anilino]-1-piperidin-1-ylethanone (CID 75433703) is 2-[4-methyl-N-[(5-methyl-1,3-oxazol-4-yl)methyl]anilino]-1-piperidin-1-ylethanone.
What is the SMILES notation for 2-[4-methyl-N-[(5-methyl-1,3-oxazol-4-yl)methyl]anilino]-1-piperidin-1-ylethanone?
The canonical SMILES for 2-[4-methyl-N-[(5-methyl-1,3-oxazol-4-yl)methyl]anilino]-1-piperidin-1-ylethanone is Cc1ccc(N(CC(=O)N2CCCCC2)Cc2ncoc2C)cc1.
What is the InChIKey of 2-[4-methyl-N-[(5-methyl-1,3-oxazol-4-yl)methyl]anilino]-1-piperidin-1-ylethanone?
The InChIKey is LODPOKBZXUBZDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O2/c1-15-6-8-17(9-7-15)22(12-18-16(2)24-14-20-18)13-19(23)21-10-4-3-5-11-21/h6-9,14H,3-5,10-13H2,1-2H3.
What are the key properties of 2-[4-methyl-N-[(5-methyl-1,3-oxazol-4-yl)methyl]anilino]-1-piperidin-1-ylethanone?
2-[4-methyl-N-[(5-methyl-1,3-oxazol-4-yl)methyl]anilino]-1-piperidin-1-ylethanone has a molecular weight of 327.43 g/mol, XLogP of 3.31, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-methyl-N-[(5-methyl-1,3-oxazol-4-yl)methyl]anilino]-1-piperidin-1-ylethanone is sourced from PubChem (CID 75433703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).