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

C18H19ClN6O2 — CID 47084327

IUPAC[3-(2-chlorophenyl)triazol-4-yl]-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]methanone
SMILESCc1cc(CN2CCN(C(=O)c3cnnn3-c3ccccc3Cl)CC2)on1
InChIInChI=1S/C18H19ClN6O2/c1-13-10-14(27-21-13)12-23-6-8-24(9-7-23)18(26)17-11-20-22-25(17)16-5-3-2-4-15(16)19/h2-5,10-11H,6-9,12H2,1H3
InChIKeyIZYABKCVNZMHRX-UHFFFAOYSA-N
MW386.84 g/mol
LogP2.18
Rot. Bonds4

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

[3-(2-chlorophenyl)triazol-4-yl]-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]methanone (PubChem CID 47084327) has the molecular formula C18H19ClN6O2 and a molecular weight of 386.84 g/mol. Its IUPAC name is [3-(2-chlorophenyl)triazol-4-yl]-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]methanone.

Molecular Properties

Compound Name[3-(2-chlorophenyl)triazol-4-yl]-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]methanone
PubChem CID47084327
Molecular FormulaC18H19ClN6O2
Molecular Weight386.84 g/mol
Exact Mass386.13
IUPAC Name[3-(2-chlorophenyl)triazol-4-yl]-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]methanone
SMILESCc1cc(CN2CCN(C(=O)c3cnnn3-c3ccccc3Cl)CC2)on1
InChIInChI=1S/C18H19ClN6O2/c1-13-10-14(27-21-13)12-23-6-8-24(9-7-23)18(26)17-11-20-22-25(17)16-5-3-2-4-15(16)19/h2-5,10-11H,6-9,12H2,1H3
InChIKeyIZYABKCVNZMHRX-UHFFFAOYSA-N
XLogP2.18
TPSA80.29 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.84
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [3-(2-chlorophenyl)triazol-4-yl]-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]methanone?
The IUPAC name of [3-(2-chlorophenyl)triazol-4-yl]-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]methanone (CID 47084327) is [3-(2-chlorophenyl)triazol-4-yl]-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]methanone.
What is the SMILES notation for [3-(2-chlorophenyl)triazol-4-yl]-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]methanone?
The canonical SMILES for [3-(2-chlorophenyl)triazol-4-yl]-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]methanone is Cc1cc(CN2CCN(C(=O)c3cnnn3-c3ccccc3Cl)CC2)on1.
What is the InChIKey of [3-(2-chlorophenyl)triazol-4-yl]-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]methanone?
The InChIKey is IZYABKCVNZMHRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN6O2/c1-13-10-14(27-21-13)12-23-6-8-24(9-7-23)18(26)17-11-20-22-25(17)16-5-3-2-4-15(16)19/h2-5,10-11H,6-9,12H2,1H3.
What are the key properties of [3-(2-chlorophenyl)triazol-4-yl]-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]methanone?
[3-(2-chlorophenyl)triazol-4-yl]-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]methanone has a molecular weight of 386.84 g/mol, XLogP of 2.18, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2-chlorophenyl)triazol-4-yl]-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]methanone is sourced from PubChem (CID 47084327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).