3-[4-[2-(2,3-dimethylanilino)-2-oxoethyl]piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide

C21H29N5O3 — CID 30740971

IUPAC3-[4-[2-(2,3-dimethylanilino)-2-oxoethyl]piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide
SMILESCc1cc(NC(=O)CCN2CCN(CC(=O)Nc3cccc(C)c3C)CC2)no1
InChIInChI=1S/C21H29N5O3/c1-15-5-4-6-18(17(15)3)22-21(28)14-26-11-9-25(10-12-26)8-7-20(27)23-19-13-16(2)29-24-19/h4-6,13H,7-12,14H2,1-3H3,(H,22,28)(H,23,24,27)
InChIKeyMGVLAWRVLCZTGD-UHFFFAOYSA-N
MW399.50 g/mol
LogP2.18
Rot. Bonds7

About 3-[4-[2-(2,3-dimethylanilino)-2-oxoethyl]piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide

3-[4-[2-(2,3-dimethylanilino)-2-oxoethyl]piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide (PubChem CID 30740971) has the molecular formula C21H29N5O3 and a molecular weight of 399.50 g/mol. Its IUPAC name is 3-[4-[2-(2,3-dimethylanilino)-2-oxoethyl]piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide.

Molecular Properties

Compound Name3-[4-[2-(2,3-dimethylanilino)-2-oxoethyl]piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide
PubChem CID30740971
Molecular FormulaC21H29N5O3
Molecular Weight399.50 g/mol
Exact Mass399.23
IUPAC Name3-[4-[2-(2,3-dimethylanilino)-2-oxoethyl]piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide
SMILESCc1cc(NC(=O)CCN2CCN(CC(=O)Nc3cccc(C)c3C)CC2)no1
InChIInChI=1S/C21H29N5O3/c1-15-5-4-6-18(17(15)3)22-21(28)14-26-11-9-25(10-12-26)8-7-20(27)23-19-13-16(2)29-24-19/h4-6,13H,7-12,14H2,1-3H3,(H,22,28)(H,23,24,27)
InChIKeyMGVLAWRVLCZTGD-UHFFFAOYSA-N
XLogP2.18
TPSA90.71 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.50
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-[4-[2-(2-ethylanilino)-2-oxoethyl]piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 55370076
N-(5-methyl-1,2-oxazol-3-yl)-3-[4-[(2-methylphenyl)methyl]piperazin-1-yl]propanamide
CID 30092641
N-(2,5-dimethylphenyl)-2-[4-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]piperazin-1-yl]acetamide
CID 30663123
N-(5-methyl-1,2-oxazol-3-yl)-3-(4-phenylpiperazin-1-yl)propanamide
CID 707006
N-(5-methyl-1,2-oxazol-3-yl)-3-[4-(3-methylphenyl)piperazin-1-yl]propanamide
CID 35799420
N-(5-methyl-1,2-oxazol-3-yl)-3-[4-(2-methylphenyl)sulfonylpiperazin-1-yl]propanamide
CID 110422185
N-(2,3-dimethylphenyl)-2-morpholin-4-ylacetamide
CID 755358
2-[(2,3-dimethylphenyl)carbamoyl-(3-morpholin-4-ylpropyl)amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 7297305
N-(5-methyl-1,2-oxazol-3-yl)-3-[4-(2-phenoxyethyl)piperazin-1-yl]propanamide
CID 78792894
2-[4-[2-(5-chloro-2-methylanilino)-2-oxoethyl]piperazin-1-yl]-N-(2,3-dimethylphenyl)acetamide
CID 9435125
N-(2,3-dimethylphenyl)-2-[4-(methylcarbamothioyl)piperazin-1-yl]acetamide
CID 9215169
3-[4-(4-chlorophenyl)piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 729690

Frequently Asked Questions

What is the IUPAC name of 3-[4-[2-(2,3-dimethylanilino)-2-oxoethyl]piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide?
The IUPAC name of 3-[4-[2-(2,3-dimethylanilino)-2-oxoethyl]piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide (CID 30740971) is 3-[4-[2-(2,3-dimethylanilino)-2-oxoethyl]piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide.
What is the SMILES notation for 3-[4-[2-(2,3-dimethylanilino)-2-oxoethyl]piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide?
The canonical SMILES for 3-[4-[2-(2,3-dimethylanilino)-2-oxoethyl]piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide is Cc1cc(NC(=O)CCN2CCN(CC(=O)Nc3cccc(C)c3C)CC2)no1.
What is the InChIKey of 3-[4-[2-(2,3-dimethylanilino)-2-oxoethyl]piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide?
The InChIKey is MGVLAWRVLCZTGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N5O3/c1-15-5-4-6-18(17(15)3)22-21(28)14-26-11-9-25(10-12-26)8-7-20(27)23-19-13-16(2)29-24-19/h4-6,13H,7-12,14H2,1-3H3,(H,22,28)(H,23,24,27).
What are the key properties of 3-[4-[2-(2,3-dimethylanilino)-2-oxoethyl]piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide?
3-[4-[2-(2,3-dimethylanilino)-2-oxoethyl]piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide has a molecular weight of 399.50 g/mol, XLogP of 2.18, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[2-(2,3-dimethylanilino)-2-oxoethyl]piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide is sourced from PubChem (CID 30740971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).