4-(1,3-benzoxazol-2-ylmethyl)-N-cyclohexylpiperazine-1-carboxamide

C19H26N4O2 — CID 33409511

IUPAC4-(1,3-benzoxazol-2-ylmethyl)-N-cyclohexylpiperazine-1-carboxamide
SMILESO=C(NC1CCCCC1)N1CCN(Cc2nc3ccccc3o2)CC1
InChIInChI=1S/C19H26N4O2/c24-19(20-15-6-2-1-3-7-15)23-12-10-22(11-13-23)14-18-21-16-8-4-5-9-17(16)25-18/h4-5,8-9,15H,1-3,6-7,10-14H2,(H,20,24)
InChIKeyXAPGGVBDZBOPNY-UHFFFAOYSA-N
MW342.44 g/mol
LogP2.99
Rot. Bonds3

About 4-(1,3-benzoxazol-2-ylmethyl)-N-cyclohexylpiperazine-1-carboxamide

4-(1,3-benzoxazol-2-ylmethyl)-N-cyclohexylpiperazine-1-carboxamide (PubChem CID 33409511) has the molecular formula C19H26N4O2 and a molecular weight of 342.44 g/mol. Its IUPAC name is 4-(1,3-benzoxazol-2-ylmethyl)-N-cyclohexylpiperazine-1-carboxamide.

Molecular Properties

Compound Name4-(1,3-benzoxazol-2-ylmethyl)-N-cyclohexylpiperazine-1-carboxamide
PubChem CID33409511
Molecular FormulaC19H26N4O2
Molecular Weight342.44 g/mol
Exact Mass342.21
IUPAC Name4-(1,3-benzoxazol-2-ylmethyl)-N-cyclohexylpiperazine-1-carboxamide
SMILESO=C(NC1CCCCC1)N1CCN(Cc2nc3ccccc3o2)CC1
InChIInChI=1S/C19H26N4O2/c24-19(20-15-6-2-1-3-7-15)23-12-10-22(11-13-23)14-18-21-16-8-4-5-9-17(16)25-18/h4-5,8-9,15H,1-3,6-7,10-14H2,(H,20,24)
InChIKeyXAPGGVBDZBOPNY-UHFFFAOYSA-N
XLogP2.99
TPSA61.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(1,3-benzoxazol-2-ylmethyl)-N-cyclohexylpiperazine-1-carboxamide?
The IUPAC name of 4-(1,3-benzoxazol-2-ylmethyl)-N-cyclohexylpiperazine-1-carboxamide (CID 33409511) is 4-(1,3-benzoxazol-2-ylmethyl)-N-cyclohexylpiperazine-1-carboxamide.
What is the SMILES notation for 4-(1,3-benzoxazol-2-ylmethyl)-N-cyclohexylpiperazine-1-carboxamide?
The canonical SMILES for 4-(1,3-benzoxazol-2-ylmethyl)-N-cyclohexylpiperazine-1-carboxamide is O=C(NC1CCCCC1)N1CCN(Cc2nc3ccccc3o2)CC1.
What is the InChIKey of 4-(1,3-benzoxazol-2-ylmethyl)-N-cyclohexylpiperazine-1-carboxamide?
The InChIKey is XAPGGVBDZBOPNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O2/c24-19(20-15-6-2-1-3-7-15)23-12-10-22(11-13-23)14-18-21-16-8-4-5-9-17(16)25-18/h4-5,8-9,15H,1-3,6-7,10-14H2,(H,20,24).
What are the key properties of 4-(1,3-benzoxazol-2-ylmethyl)-N-cyclohexylpiperazine-1-carboxamide?
4-(1,3-benzoxazol-2-ylmethyl)-N-cyclohexylpiperazine-1-carboxamide has a molecular weight of 342.44 g/mol, XLogP of 2.99, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,3-benzoxazol-2-ylmethyl)-N-cyclohexylpiperazine-1-carboxamide is sourced from PubChem (CID 33409511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).