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

C22H33ClN4O — CID 56928743

IUPAC2-[4-(4-chlorophenyl)piperazin-1-yl]-N-[(4-propan-2-yl-5-propyl-1,3-oxazol-2-yl)methyl]ethanamine
SMILESCCCc1oc(CNCCN2CCN(c3ccc(Cl)cc3)CC2)nc1C(C)C
InChIInChI=1S/C22H33ClN4O/c1-4-5-20-22(17(2)3)25-21(28-20)16-24-10-11-26-12-14-27(15-13-26)19-8-6-18(23)7-9-19/h6-9,17,24H,4-5,10-16H2,1-3H3
InChIKeyWHYIZMZNOSPNIB-UHFFFAOYSA-N
MW404.99 g/mol
LogP4.32
Rot. Bonds9

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

2-[4-(4-chlorophenyl)piperazin-1-yl]-N-[(4-propan-2-yl-5-propyl-1,3-oxazol-2-yl)methyl]ethanamine (PubChem CID 56928743) has the molecular formula C22H33ClN4O and a molecular weight of 404.99 g/mol. Its IUPAC name is 2-[4-(4-chlorophenyl)piperazin-1-yl]-N-[(4-propan-2-yl-5-propyl-1,3-oxazol-2-yl)methyl]ethanamine.

Molecular Properties

Compound Name2-[4-(4-chlorophenyl)piperazin-1-yl]-N-[(4-propan-2-yl-5-propyl-1,3-oxazol-2-yl)methyl]ethanamine
PubChem CID56928743
Molecular FormulaC22H33ClN4O
Molecular Weight404.99 g/mol
Exact Mass404.23
IUPAC Name2-[4-(4-chlorophenyl)piperazin-1-yl]-N-[(4-propan-2-yl-5-propyl-1,3-oxazol-2-yl)methyl]ethanamine
SMILESCCCc1oc(CNCCN2CCN(c3ccc(Cl)cc3)CC2)nc1C(C)C
InChIInChI=1S/C22H33ClN4O/c1-4-5-20-22(17(2)3)25-21(28-20)16-24-10-11-26-12-14-27(15-13-26)19-8-6-18(23)7-9-19/h6-9,17,24H,4-5,10-16H2,1-3H3
InChIKeyWHYIZMZNOSPNIB-UHFFFAOYSA-N
XLogP4.32
TPSA44.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.99
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-chlorophenyl)piperazin-1-yl]-N-[(4-propan-2-yl-5-propyl-1,3-oxazol-2-yl)methyl]ethanamine?
The IUPAC name of 2-[4-(4-chlorophenyl)piperazin-1-yl]-N-[(4-propan-2-yl-5-propyl-1,3-oxazol-2-yl)methyl]ethanamine (CID 56928743) is 2-[4-(4-chlorophenyl)piperazin-1-yl]-N-[(4-propan-2-yl-5-propyl-1,3-oxazol-2-yl)methyl]ethanamine.
What is the SMILES notation for 2-[4-(4-chlorophenyl)piperazin-1-yl]-N-[(4-propan-2-yl-5-propyl-1,3-oxazol-2-yl)methyl]ethanamine?
The canonical SMILES for 2-[4-(4-chlorophenyl)piperazin-1-yl]-N-[(4-propan-2-yl-5-propyl-1,3-oxazol-2-yl)methyl]ethanamine is CCCc1oc(CNCCN2CCN(c3ccc(Cl)cc3)CC2)nc1C(C)C.
What is the InChIKey of 2-[4-(4-chlorophenyl)piperazin-1-yl]-N-[(4-propan-2-yl-5-propyl-1,3-oxazol-2-yl)methyl]ethanamine?
The InChIKey is WHYIZMZNOSPNIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H33ClN4O/c1-4-5-20-22(17(2)3)25-21(28-20)16-24-10-11-26-12-14-27(15-13-26)19-8-6-18(23)7-9-19/h6-9,17,24H,4-5,10-16H2,1-3H3.
What are the key properties of 2-[4-(4-chlorophenyl)piperazin-1-yl]-N-[(4-propan-2-yl-5-propyl-1,3-oxazol-2-yl)methyl]ethanamine?
2-[4-(4-chlorophenyl)piperazin-1-yl]-N-[(4-propan-2-yl-5-propyl-1,3-oxazol-2-yl)methyl]ethanamine has a molecular weight of 404.99 g/mol, XLogP of 4.32, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-chlorophenyl)piperazin-1-yl]-N-[(4-propan-2-yl-5-propyl-1,3-oxazol-2-yl)methyl]ethanamine is sourced from PubChem (CID 56928743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).