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

C17H21ClN4O2 — CID 729690

IUPAC3-[4-(4-chlorophenyl)piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide
SMILESCc1cc(NC(=O)CCN2CCN(c3ccc(Cl)cc3)CC2)no1
InChIInChI=1S/C17H21ClN4O2/c1-13-12-16(20-24-13)19-17(23)6-7-21-8-10-22(11-9-21)15-4-2-14(18)3-5-15/h2-5,12H,6-11H2,1H3,(H,19,20,23)
InChIKeyWOGMPSREJJWVSJ-UHFFFAOYSA-N
MW348.83 g/mol
LogP2.79
Rot. Bonds5

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

3-[4-(4-chlorophenyl)piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide (PubChem CID 729690) has the molecular formula C17H21ClN4O2 and a molecular weight of 348.83 g/mol. Its IUPAC name is 3-[4-(4-chlorophenyl)piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide.

Molecular Properties

Compound Name3-[4-(4-chlorophenyl)piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide
PubChem CID729690
Molecular FormulaC17H21ClN4O2
Molecular Weight348.83 g/mol
Exact Mass348.14
IUPAC Name3-[4-(4-chlorophenyl)piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide
SMILESCc1cc(NC(=O)CCN2CCN(c3ccc(Cl)cc3)CC2)no1
InChIInChI=1S/C17H21ClN4O2/c1-13-12-16(20-24-13)19-17(23)6-7-21-8-10-22(11-9-21)15-4-2-14(18)3-5-15/h2-5,12H,6-11H2,1H3,(H,19,20,23)
InChIKeyWOGMPSREJJWVSJ-UHFFFAOYSA-N
XLogP2.79
TPSA61.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.83
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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
4-(4-chlorophenyl)-N-(5-methyl-1,2-oxazol-3-yl)piperazine-1-carboxamide
CID 113112990
3-[4-(4-chlorophenyl)piperazin-1-yl]-N-(3-methylphenyl)propanamide
CID 42858886
N-(5-methyl-1,2-oxazol-3-yl)-3-[4-[(2-methylphenyl)methyl]piperazin-1-yl]propanamide
CID 30092641
N-(5-tert-butyl-1,2-oxazol-3-yl)-3-(4-phenylpiperazin-1-yl)propanamide
CID 162643286
3-[4-[(4-cyanophenyl)methyl]piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 35798753
N-(5-methyl-1,2-oxazol-3-yl)-3-[4-(2-nitrophenyl)piperazin-1-yl]propanamide
CID 38065563
N-(5-methyl-1,2-oxazol-3-yl)-3-[4-(2-phenoxyethyl)piperazin-1-yl]propanamide
CID 78792894
3-[4-(3-cyano-2-pyridinyl)piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 134031904
3-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 122134106
3-[4-(3-chlorophenyl)piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)-3-oxopropanamide
CID 108950660

Frequently Asked Questions

What is the IUPAC name of 3-[4-(4-chlorophenyl)piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide?
The IUPAC name of 3-[4-(4-chlorophenyl)piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide (CID 729690) is 3-[4-(4-chlorophenyl)piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide.
What is the SMILES notation for 3-[4-(4-chlorophenyl)piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide?
The canonical SMILES for 3-[4-(4-chlorophenyl)piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide is Cc1cc(NC(=O)CCN2CCN(c3ccc(Cl)cc3)CC2)no1.
What is the InChIKey of 3-[4-(4-chlorophenyl)piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide?
The InChIKey is WOGMPSREJJWVSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21ClN4O2/c1-13-12-16(20-24-13)19-17(23)6-7-21-8-10-22(11-9-21)15-4-2-14(18)3-5-15/h2-5,12H,6-11H2,1H3,(H,19,20,23).
What are the key properties of 3-[4-(4-chlorophenyl)piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide?
3-[4-(4-chlorophenyl)piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide has a molecular weight of 348.83 g/mol, XLogP of 2.79, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(4-chlorophenyl)piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide is sourced from PubChem (CID 729690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).