copper;2-[(1E)-1-(1,3-benzoxazol-3-id-2-ylidene)heptadecyl]-1,3-benzoxazole;2-[1-(1,3-benzoxazol-3-id-2-ylidene)heptadecyl]-1,3-benzoxazole

C62H82CuN4O4 — CID 58672178

IUPACcopper;2-[(1E)-1-(1,3-benzoxazol-3-id-2-ylidene)heptadecyl]-1,3-benzoxazole;2-[1-(1,3-benzoxazol-3-id-2-ylidene)heptadecyl]-1,3-benzoxazole
SMILESCCCCCCCCCCCCCCCC/C(=C1/[N-]c2ccccc2O1)c1nc2ccccc2o1.CCCCCCCCCCCCCCCCC(=C1[N-]c2ccccc2O1)c1nc2ccccc2o1.[Cu+2]
InChIInChI=1S/2C31H41N2O2.Cu/c2*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-20-25(30-32-26-21-16-18-23-28(26)34-30)31-33-27-22-17-19-24-29(27)35-31;/h2*16-19,21-24H,2-15,20H2,1H3;/q2*-1;+2/b30-25+;;
InChIKeyZNDLIQQFHQJEQO-HTLDVIECSA-N
MW1010.91 g/mol
LogP20.93
Rot. Bonds32

About copper;2-[(1E)-1-(1,3-benzoxazol-3-id-2-ylidene)heptadecyl]-1,3-benzoxazole;2-[1-(1,3-benzoxazol-3-id-2-ylidene)heptadecyl]-1,3-benzoxazole

copper;2-[(1E)-1-(1,3-benzoxazol-3-id-2-ylidene)heptadecyl]-1,3-benzoxazole;2-[1-(1,3-benzoxazol-3-id-2-ylidene)heptadecyl]-1,3-benzoxazole (PubChem CID 58672178) has the molecular formula C62H82CuN4O4 and a molecular weight of 1010.91 g/mol. Its IUPAC name is copper;2-[(1E)-1-(1,3-benzoxazol-3-id-2-ylidene)heptadecyl]-1,3-benzoxazole;2-[1-(1,3-benzoxazol-3-id-2-ylidene)heptadecyl]-1,3-benzoxazole.

Molecular Properties

Compound Namecopper;2-[(1E)-1-(1,3-benzoxazol-3-id-2-ylidene)heptadecyl]-1,3-benzoxazole;2-[1-(1,3-benzoxazol-3-id-2-ylidene)heptadecyl]-1,3-benzoxazole
PubChem CID58672178
Molecular FormulaC62H82CuN4O4
Molecular Weight1010.91 g/mol
Exact Mass1009.56
IUPAC Namecopper;2-[(1E)-1-(1,3-benzoxazol-3-id-2-ylidene)heptadecyl]-1,3-benzoxazole;2-[1-(1,3-benzoxazol-3-id-2-ylidene)heptadecyl]-1,3-benzoxazole
SMILESCCCCCCCCCCCCCCCC/C(=C1/[N-]c2ccccc2O1)c1nc2ccccc2o1.CCCCCCCCCCCCCCCCC(=C1[N-]c2ccccc2O1)c1nc2ccccc2o1.[Cu+2]
InChIInChI=1S/2C31H41N2O2.Cu/c2*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-20-25(30-32-26-21-16-18-23-28(26)34-30)31-33-27-22-17-19-24-29(27)35-31;/h2*16-19,21-24H,2-15,20H2,1H3;/q2*-1;+2/b30-25+;;
InChIKeyZNDLIQQFHQJEQO-HTLDVIECSA-N
XLogP20.93
TPSA98.72 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds32
Heavy Atoms71
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001010.91
LogP ≤ 520.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze copper;2-[(1E)-1-(1,3-benzoxazol-3-id-2-ylidene)heptadecyl]-1,3-benzoxazole;2-[1-(1,3-benzoxazol-3-id-2-ylidene)heptadecyl]-1,3-benzoxazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

copper bis(2-[(1E)-1-(1,3-benzoxazol-3-id-2-ylidene)propyl]-1,3-benzoxazole)
CID 58672156
copper bis(2-[(1E)-1-(1,3-benzoxazol-3-id-2-ylidene)-3-methylbutyl]-1,3-benzoxazole)
CID 58672116
2-[1-(3H-1,3-benzoxazol-2-ylidene)hexyl]-1,3-benzoxazole
CID 58672155
copper;2-[(1E)-1-(1,3-benzoxazol-3-id-2-ylidene)-2-(3-chloro-5-methyl-2-pyridinyl)ethyl]-1,3-benzoxazole;2-[(1E)-1-(1,3-benzoxazol-3-id-2-ylidene)-2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]ethyl]-1,3-benzoxazole
CID 58672208
2-(2-chlorononyl)-1,3-benzoxazole
CID 66460738
2-pentyl-1,3-benzoxazole
CID 23425
2-[(E)-oct-4-en-4-yl]-1,3-benzoxazole
CID 102043111
4-amino-1-(1,3-benzoxazol-2-yl)butan-1-one
CID 173180639
2-amino-1-(1,3-benzoxazol-2-yl)pentan-1-one
CID 70077251
2-pentoxy-1,3-benzoxazole
CID 175319075
(Z)-4-(1,3-benzoxazol-2-yl)hex-4-en-3-one
CID 123987728
3-hexyl-1,4-benzoxazin-2-one
CID 102299494

Frequently Asked Questions

What is the IUPAC name of copper;2-[(1E)-1-(1,3-benzoxazol-3-id-2-ylidene)heptadecyl]-1,3-benzoxazole;2-[1-(1,3-benzoxazol-3-id-2-ylidene)heptadecyl]-1,3-benzoxazole?
The IUPAC name of copper;2-[(1E)-1-(1,3-benzoxazol-3-id-2-ylidene)heptadecyl]-1,3-benzoxazole;2-[1-(1,3-benzoxazol-3-id-2-ylidene)heptadecyl]-1,3-benzoxazole (CID 58672178) is copper;2-[(1E)-1-(1,3-benzoxazol-3-id-2-ylidene)heptadecyl]-1,3-benzoxazole;2-[1-(1,3-benzoxazol-3-id-2-ylidene)heptadecyl]-1,3-benzoxazole.
What is the SMILES notation for copper;2-[(1E)-1-(1,3-benzoxazol-3-id-2-ylidene)heptadecyl]-1,3-benzoxazole;2-[1-(1,3-benzoxazol-3-id-2-ylidene)heptadecyl]-1,3-benzoxazole?
The canonical SMILES for copper;2-[(1E)-1-(1,3-benzoxazol-3-id-2-ylidene)heptadecyl]-1,3-benzoxazole;2-[1-(1,3-benzoxazol-3-id-2-ylidene)heptadecyl]-1,3-benzoxazole is CCCCCCCCCCCCCCCC/C(=C1/[N-]c2ccccc2O1)c1nc2ccccc2o1.CCCCCCCCCCCCCCCCC(=C1[N-]c2ccccc2O1)c1nc2ccccc2o1.[Cu+2].
What is the InChIKey of copper;2-[(1E)-1-(1,3-benzoxazol-3-id-2-ylidene)heptadecyl]-1,3-benzoxazole;2-[1-(1,3-benzoxazol-3-id-2-ylidene)heptadecyl]-1,3-benzoxazole?
The InChIKey is ZNDLIQQFHQJEQO-HTLDVIECSA-N. The full InChI is InChI=1S/2C31H41N2O2.Cu/c2*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-20-25(30-32-26-21-16-18-23-28(26)34-30)31-33-27-22-17-19-24-29(27)35-31;/h2*16-19,21-24H,2-15,20H2,1H3;/q2*-1;+2/b30-25+;;.
What are the key properties of copper;2-[(1E)-1-(1,3-benzoxazol-3-id-2-ylidene)heptadecyl]-1,3-benzoxazole;2-[1-(1,3-benzoxazol-3-id-2-ylidene)heptadecyl]-1,3-benzoxazole?
copper;2-[(1E)-1-(1,3-benzoxazol-3-id-2-ylidene)heptadecyl]-1,3-benzoxazole;2-[1-(1,3-benzoxazol-3-id-2-ylidene)heptadecyl]-1,3-benzoxazole has a molecular weight of 1010.91 g/mol, XLogP of 20.93, 32 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for copper;2-[(1E)-1-(1,3-benzoxazol-3-id-2-ylidene)heptadecyl]-1,3-benzoxazole;2-[1-(1,3-benzoxazol-3-id-2-ylidene)heptadecyl]-1,3-benzoxazole is sourced from PubChem (CID 58672178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).