4-[2-[4-(5,6-dichloro-1,2-benzoxazol-3-yl)piperazin-1-yl]ethyl]cyclohexane-1-carboxamide

C20H26Cl2N4O2 — CID 173089746

IUPAC4-[2-[4-(5,6-dichloro-1,2-benzoxazol-3-yl)piperazin-1-yl]ethyl]cyclohexane-1-carboxamide
SMILESNC(=O)C1CCC(CCN2CCN(c3noc4cc(Cl)c(Cl)cc34)CC2)CC1
InChIInChI=1S/C20H26Cl2N4O2/c21-16-11-15-18(12-17(16)22)28-24-20(15)26-9-7-25(8-10-26)6-5-13-1-3-14(4-2-13)19(23)27/h11-14H,1-10H2,(H2,23,27)
InChIKeyVIZMDCAZEITGJD-UHFFFAOYSA-N
MW425.36 g/mol
LogP3.94
Rot. Bonds5

About 4-[2-[4-(5,6-dichloro-1,2-benzoxazol-3-yl)piperazin-1-yl]ethyl]cyclohexane-1-carboxamide

4-[2-[4-(5,6-dichloro-1,2-benzoxazol-3-yl)piperazin-1-yl]ethyl]cyclohexane-1-carboxamide (PubChem CID 173089746) has the molecular formula C20H26Cl2N4O2 and a molecular weight of 425.36 g/mol. Its IUPAC name is 4-[2-[4-(5,6-dichloro-1,2-benzoxazol-3-yl)piperazin-1-yl]ethyl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-[2-[4-(5,6-dichloro-1,2-benzoxazol-3-yl)piperazin-1-yl]ethyl]cyclohexane-1-carboxamide
PubChem CID173089746
Molecular FormulaC20H26Cl2N4O2
Molecular Weight425.36 g/mol
Exact Mass424.14
IUPAC Name4-[2-[4-(5,6-dichloro-1,2-benzoxazol-3-yl)piperazin-1-yl]ethyl]cyclohexane-1-carboxamide
SMILESNC(=O)C1CCC(CCN2CCN(c3noc4cc(Cl)c(Cl)cc34)CC2)CC1
InChIInChI=1S/C20H26Cl2N4O2/c21-16-11-15-18(12-17(16)22)28-24-20(15)26-9-7-25(8-10-26)6-5-13-1-3-14(4-2-13)19(23)27/h11-14H,1-10H2,(H2,23,27)
InChIKeyVIZMDCAZEITGJD-UHFFFAOYSA-N
XLogP3.94
TPSA75.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.36
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[4-(5,6-dichloro-1,2-benzoxazol-3-yl)piperazin-1-yl]ethyl]cyclohexane-1-carboxamide?
The IUPAC name of 4-[2-[4-(5,6-dichloro-1,2-benzoxazol-3-yl)piperazin-1-yl]ethyl]cyclohexane-1-carboxamide (CID 173089746) is 4-[2-[4-(5,6-dichloro-1,2-benzoxazol-3-yl)piperazin-1-yl]ethyl]cyclohexane-1-carboxamide.
What is the SMILES notation for 4-[2-[4-(5,6-dichloro-1,2-benzoxazol-3-yl)piperazin-1-yl]ethyl]cyclohexane-1-carboxamide?
The canonical SMILES for 4-[2-[4-(5,6-dichloro-1,2-benzoxazol-3-yl)piperazin-1-yl]ethyl]cyclohexane-1-carboxamide is NC(=O)C1CCC(CCN2CCN(c3noc4cc(Cl)c(Cl)cc34)CC2)CC1.
What is the InChIKey of 4-[2-[4-(5,6-dichloro-1,2-benzoxazol-3-yl)piperazin-1-yl]ethyl]cyclohexane-1-carboxamide?
The InChIKey is VIZMDCAZEITGJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26Cl2N4O2/c21-16-11-15-18(12-17(16)22)28-24-20(15)26-9-7-25(8-10-26)6-5-13-1-3-14(4-2-13)19(23)27/h11-14H,1-10H2,(H2,23,27).
What are the key properties of 4-[2-[4-(5,6-dichloro-1,2-benzoxazol-3-yl)piperazin-1-yl]ethyl]cyclohexane-1-carboxamide?
4-[2-[4-(5,6-dichloro-1,2-benzoxazol-3-yl)piperazin-1-yl]ethyl]cyclohexane-1-carboxamide has a molecular weight of 425.36 g/mol, XLogP of 3.94, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[4-(5,6-dichloro-1,2-benzoxazol-3-yl)piperazin-1-yl]ethyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 173089746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).