2-[[4-(5-chloro-2-methoxyphenyl)piperazin-1-yl]methyl]-N-prop-2-enyl-1,3-oxazole-4-carboxamide

C19H23ClN4O3 — CID 46043300

IUPAC2-[[4-(5-chloro-2-methoxyphenyl)piperazin-1-yl]methyl]-N-prop-2-enyl-1,3-oxazole-4-carboxamide
SMILESC=CCNC(=O)c1coc(CN2CCN(c3cc(Cl)ccc3OC)CC2)n1
InChIInChI=1S/C19H23ClN4O3/c1-3-6-21-19(25)15-13-27-18(22-15)12-23-7-9-24(10-8-23)16-11-14(20)4-5-17(16)26-2/h3-5,11,13H,1,6-10,12H2,2H3,(H,21,25)
InChIKeyCZYJHARORWCFAO-UHFFFAOYSA-N
MW390.87 g/mol
LogP2.57
Rot. Bonds7

About 2-[[4-(5-chloro-2-methoxyphenyl)piperazin-1-yl]methyl]-N-prop-2-enyl-1,3-oxazole-4-carboxamide

2-[[4-(5-chloro-2-methoxyphenyl)piperazin-1-yl]methyl]-N-prop-2-enyl-1,3-oxazole-4-carboxamide (PubChem CID 46043300) has the molecular formula C19H23ClN4O3 and a molecular weight of 390.87 g/mol. Its IUPAC name is 2-[[4-(5-chloro-2-methoxyphenyl)piperazin-1-yl]methyl]-N-prop-2-enyl-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name2-[[4-(5-chloro-2-methoxyphenyl)piperazin-1-yl]methyl]-N-prop-2-enyl-1,3-oxazole-4-carboxamide
PubChem CID46043300
Molecular FormulaC19H23ClN4O3
Molecular Weight390.87 g/mol
Exact Mass390.15
IUPAC Name2-[[4-(5-chloro-2-methoxyphenyl)piperazin-1-yl]methyl]-N-prop-2-enyl-1,3-oxazole-4-carboxamide
SMILESC=CCNC(=O)c1coc(CN2CCN(c3cc(Cl)ccc3OC)CC2)n1
InChIInChI=1S/C19H23ClN4O3/c1-3-6-21-19(25)15-13-27-18(22-15)12-23-7-9-24(10-8-23)16-11-14(20)4-5-17(16)26-2/h3-5,11,13H,1,6-10,12H2,2H3,(H,21,25)
InChIKeyCZYJHARORWCFAO-UHFFFAOYSA-N
XLogP2.57
TPSA70.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.87
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2-[[4-(5-chloro-2-methoxyphenyl)piperazin-1-yl]methyl]-N-prop-2-enyl-1,3-oxazole-4-carboxamide 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-benzyl-2-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-1,3-oxazole-4-carboxamide
CID 46043476
2-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]-N-(2-methoxyethyl)-1,3-oxazole-4-carboxamide
CID 42850946
2-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-N-(3-methoxypropyl)-1,3-oxazole-4-carboxamide
CID 25281930
2-[[4-[(3-chloro-4-fluorophenyl)methyl]piperazin-1-yl]methyl]-N-[2-(2-methoxyphenyl)ethyl]-1,3-oxazole-4-carboxamide
CID 46051837
2-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]-N-(2-pyrrolidin-1-ylethyl)-1,3-oxazole-4-carboxamide
CID 42850944
2-[[4-[(2S)-2-hydroxyhex-5-enyl]piperazin-1-yl]methyl]-N-[2-(2-methoxyphenyl)ethyl]-1,3-oxazole-4-carboxamide
CID 92986554
N-(4-chlorophenyl)-2-[[4-[(2R)-2-hydroxyhex-5-enyl]piperazin-1-yl]methyl]-1,3-oxazole-4-carboxamide
CID 92986502
2-[[4-[(2R)-2-hydroxyhex-5-enyl]piperazin-1-yl]methyl]-N-(4-methoxyphenyl)-1,3-oxazole-4-carboxamide
CID 92986813
N-(3-methylbutyl)-2-[[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]methyl]-1,3-oxazole-4-carboxamide
CID 46051778
N-(4-fluorophenyl)-2-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-1,3-oxazole-4-carboxamide
CID 42850775
2-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]-N-(2-piperidin-1-ylethyl)-1,3-oxazole-4-carboxamide
CID 42858740
N-(4-chlorophenyl)-2-[[4-(pyridin-4-ylmethyl)piperazin-1-yl]methyl]-1,3-oxazole-4-carboxamide
CID 42856234

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(5-chloro-2-methoxyphenyl)piperazin-1-yl]methyl]-N-prop-2-enyl-1,3-oxazole-4-carboxamide?
The IUPAC name of 2-[[4-(5-chloro-2-methoxyphenyl)piperazin-1-yl]methyl]-N-prop-2-enyl-1,3-oxazole-4-carboxamide (CID 46043300) is 2-[[4-(5-chloro-2-methoxyphenyl)piperazin-1-yl]methyl]-N-prop-2-enyl-1,3-oxazole-4-carboxamide.
What is the SMILES notation for 2-[[4-(5-chloro-2-methoxyphenyl)piperazin-1-yl]methyl]-N-prop-2-enyl-1,3-oxazole-4-carboxamide?
The canonical SMILES for 2-[[4-(5-chloro-2-methoxyphenyl)piperazin-1-yl]methyl]-N-prop-2-enyl-1,3-oxazole-4-carboxamide is C=CCNC(=O)c1coc(CN2CCN(c3cc(Cl)ccc3OC)CC2)n1.
What is the InChIKey of 2-[[4-(5-chloro-2-methoxyphenyl)piperazin-1-yl]methyl]-N-prop-2-enyl-1,3-oxazole-4-carboxamide?
The InChIKey is CZYJHARORWCFAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN4O3/c1-3-6-21-19(25)15-13-27-18(22-15)12-23-7-9-24(10-8-23)16-11-14(20)4-5-17(16)26-2/h3-5,11,13H,1,6-10,12H2,2H3,(H,21,25).
What are the key properties of 2-[[4-(5-chloro-2-methoxyphenyl)piperazin-1-yl]methyl]-N-prop-2-enyl-1,3-oxazole-4-carboxamide?
2-[[4-(5-chloro-2-methoxyphenyl)piperazin-1-yl]methyl]-N-prop-2-enyl-1,3-oxazole-4-carboxamide has a molecular weight of 390.87 g/mol, XLogP of 2.57, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(5-chloro-2-methoxyphenyl)piperazin-1-yl]methyl]-N-prop-2-enyl-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 46043300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).