[2-(3,5-dichlorophenyl)-1,3-benzoxazol-6-yl]-piperazin-1-ylmethanone

C18H15Cl2N3O2 — CID 156813986

IUPAC[2-(3,5-dichlorophenyl)-1,3-benzoxazol-6-yl]-piperazin-1-ylmethanone
SMILESO=C(c1ccc2nc(-c3cc(Cl)cc(Cl)c3)oc2c1)N1CCNCC1
InChIInChI=1S/C18H15Cl2N3O2/c19-13-7-12(8-14(20)10-13)17-22-15-2-1-11(9-16(15)25-17)18(24)23-5-3-21-4-6-23/h1-2,7-10,21H,3-6H2
InChIKeyQNIDILPVWAKBKE-UHFFFAOYSA-N
MW376.24 g/mol
LogP3.85
Rot. Bonds2

About [2-(3,5-dichlorophenyl)-1,3-benzoxazol-6-yl]-piperazin-1-ylmethanone

[2-(3,5-dichlorophenyl)-1,3-benzoxazol-6-yl]-piperazin-1-ylmethanone (PubChem CID 156813986) has the molecular formula C18H15Cl2N3O2 and a molecular weight of 376.24 g/mol. Its IUPAC name is [2-(3,5-dichlorophenyl)-1,3-benzoxazol-6-yl]-piperazin-1-ylmethanone.

Molecular Properties

Compound Name[2-(3,5-dichlorophenyl)-1,3-benzoxazol-6-yl]-piperazin-1-ylmethanone
PubChem CID156813986
Molecular FormulaC18H15Cl2N3O2
Molecular Weight376.24 g/mol
Exact Mass375.05
IUPAC Name[2-(3,5-dichlorophenyl)-1,3-benzoxazol-6-yl]-piperazin-1-ylmethanone
SMILESO=C(c1ccc2nc(-c3cc(Cl)cc(Cl)c3)oc2c1)N1CCNCC1
InChIInChI=1S/C18H15Cl2N3O2/c19-13-7-12(8-14(20)10-13)17-22-15-2-1-11(9-16(15)25-17)18(24)23-5-3-21-4-6-23/h1-2,7-10,21H,3-6H2
InChIKeyQNIDILPVWAKBKE-UHFFFAOYSA-N
XLogP3.85
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.24
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-(3,5-dichlorophenyl)-1,3-benzoxazol-6-yl]-piperazin-1-ylmethanone?
The IUPAC name of [2-(3,5-dichlorophenyl)-1,3-benzoxazol-6-yl]-piperazin-1-ylmethanone (CID 156813986) is [2-(3,5-dichlorophenyl)-1,3-benzoxazol-6-yl]-piperazin-1-ylmethanone.
What is the SMILES notation for [2-(3,5-dichlorophenyl)-1,3-benzoxazol-6-yl]-piperazin-1-ylmethanone?
The canonical SMILES for [2-(3,5-dichlorophenyl)-1,3-benzoxazol-6-yl]-piperazin-1-ylmethanone is O=C(c1ccc2nc(-c3cc(Cl)cc(Cl)c3)oc2c1)N1CCNCC1.
What is the InChIKey of [2-(3,5-dichlorophenyl)-1,3-benzoxazol-6-yl]-piperazin-1-ylmethanone?
The InChIKey is QNIDILPVWAKBKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15Cl2N3O2/c19-13-7-12(8-14(20)10-13)17-22-15-2-1-11(9-16(15)25-17)18(24)23-5-3-21-4-6-23/h1-2,7-10,21H,3-6H2.
What are the key properties of [2-(3,5-dichlorophenyl)-1,3-benzoxazol-6-yl]-piperazin-1-ylmethanone?
[2-(3,5-dichlorophenyl)-1,3-benzoxazol-6-yl]-piperazin-1-ylmethanone has a molecular weight of 376.24 g/mol, XLogP of 3.85, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3,5-dichlorophenyl)-1,3-benzoxazol-6-yl]-piperazin-1-ylmethanone is sourced from PubChem (CID 156813986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).