ethane;4-(2-methylpropyl)-2-[(4-quinolin-4-ylcyclohexyl)methyl]-1,3-oxazole;bis(4-propan-2-yl-2-[(4-quinolin-4-ylcyclohexyl)methyl]-1,3-oxazole)

C71H92N6O3 — CID 142602697

IUPACethane;4-(2-methylpropyl)-2-[(4-quinolin-4-ylcyclohexyl)methyl]-1,3-oxazole;bis(4-propan-2-yl-2-[(4-quinolin-4-ylcyclohexyl)methyl]-1,3-oxazole)
SMILESCC.CC.CC(C)Cc1coc(CC2CCC(c3ccnc4ccccc34)CC2)n1.CC(C)c1coc(CC2CCC(c3ccnc4ccccc34)CC2)n1.CC(C)c1coc(CC2CCC(c3ccnc4ccccc34)CC2)n1
InChIInChI=1S/C23H28N2O.2C22H26N2O.2C2H6/c1-16(2)13-19-15-26-23(25-19)14-17-7-9-18(10-8-17)20-11-12-24-22-6-4-3-5-21(20)22;2*1-15(2)21-14-25-22(24-21)13-16-7-9-17(10-8-16)18-11-12-23-20-6-4-3-5-19(18)20;2*1-2/h3-6,11-12,15-18H,7-10,13-14H2,1-2H3;2*3-6,11-12,14-17H,7-10,13H2,1-2H3;2*1-2H3
InChIKeyMLZLZNFRSCEGRR-UHFFFAOYSA-N
MW1077.56 g/mol
LogP19.72
Rot. Bonds13

About ethane;4-(2-methylpropyl)-2-[(4-quinolin-4-ylcyclohexyl)methyl]-1,3-oxazole;bis(4-propan-2-yl-2-[(4-quinolin-4-ylcyclohexyl)methyl]-1,3-oxazole)

ethane;4-(2-methylpropyl)-2-[(4-quinolin-4-ylcyclohexyl)methyl]-1,3-oxazole;bis(4-propan-2-yl-2-[(4-quinolin-4-ylcyclohexyl)methyl]-1,3-oxazole) (PubChem CID 142602697) has the molecular formula C71H92N6O3 and a molecular weight of 1077.56 g/mol. Its IUPAC name is ethane;4-(2-methylpropyl)-2-[(4-quinolin-4-ylcyclohexyl)methyl]-1,3-oxazole;bis(4-propan-2-yl-2-[(4-quinolin-4-ylcyclohexyl)methyl]-1,3-oxazole).

Molecular Properties

Compound Nameethane;4-(2-methylpropyl)-2-[(4-quinolin-4-ylcyclohexyl)methyl]-1,3-oxazole;bis(4-propan-2-yl-2-[(4-quinolin-4-ylcyclohexyl)methyl]-1,3-oxazole)
PubChem CID142602697
Molecular FormulaC71H92N6O3
Molecular Weight1077.56 g/mol
Exact Mass1076.72
IUPAC Nameethane;4-(2-methylpropyl)-2-[(4-quinolin-4-ylcyclohexyl)methyl]-1,3-oxazole;bis(4-propan-2-yl-2-[(4-quinolin-4-ylcyclohexyl)methyl]-1,3-oxazole)
SMILESCC.CC.CC(C)Cc1coc(CC2CCC(c3ccnc4ccccc34)CC2)n1.CC(C)c1coc(CC2CCC(c3ccnc4ccccc34)CC2)n1.CC(C)c1coc(CC2CCC(c3ccnc4ccccc34)CC2)n1
InChIInChI=1S/C23H28N2O.2C22H26N2O.2C2H6/c1-16(2)13-19-15-26-23(25-19)14-17-7-9-18(10-8-17)20-11-12-24-22-6-4-3-5-21(20)22;2*1-15(2)21-14-25-22(24-21)13-16-7-9-17(10-8-16)18-11-12-23-20-6-4-3-5-19(18)20;2*1-2/h3-6,11-12,15-18H,7-10,13-14H2,1-2H3;2*3-6,11-12,14-17H,7-10,13H2,1-2H3;2*1-2H3
InChIKeyMLZLZNFRSCEGRR-UHFFFAOYSA-N
XLogP19.72
TPSA116.76 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds13
Heavy Atoms80
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001077.56
LogP ≤ 519.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze ethane;4-(2-methylpropyl)-2-[(4-quinolin-4-ylcyclohexyl)methyl]-1,3-oxazole;bis(4-propan-2-yl-2-[(4-quinolin-4-ylcyclohexyl)methyl]-1,3-oxazole) with MolForge

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Launch Full Analysis

Related Compounds

2-[(2R)-1-[4-(6-fluoroquinolin-4-yl)cyclohexyl]propan-2-yl]-1,3-oxazole
CID 175960572
3-[6-[3,3-Dimethyl-1-[[4-(2-methyl-1,3-oxazol-4-yl)phenyl]methyl]piperidin-4-yl]-5-fluoroquinolin-3-yl]piperidine-2,6-dione
CID 177016078
2-[[4-[(5-Fluoroquinolin-8-yl)methyl]piperazin-1-yl]methyl]-4-phenyl-1,3-oxazole
CID 86895343
2-Ethyl-2-[1-(naphthalen-2-ylmethyl)piperidin-4-yl]-1,6-bis(1,3-oxazol-2-yl)-3-[1-(quinolin-3-ylmethyl)piperidin-4-yl]hexane-1,6-dione
CID 69131943
4-[6-[2-Naphthalen-2-yl-10-[5-(1,3-oxazol-4-yl)-2-pyridinyl]anthracen-9-yl]-3-pyridinyl]-1,3-oxazole
CID 117638905
4-[6-[2-Naphthalen-1-yl-10-[5-(1,3-oxazol-4-yl)-2-pyridinyl]anthracen-9-yl]-3-pyridinyl]-1,3-oxazole
CID 117638909
4-[6-[10-[5-(1,3-Oxazol-4-yl)-2-pyridinyl]-2-(2-phenylphenyl)anthracen-9-yl]-3-pyridinyl]-1,3-oxazole
CID 117638910
4-[6-[10-[5-(1,3-Oxazol-4-yl)-2-pyridinyl]-2-phenylanthracen-9-yl]-3-pyridinyl]-1,3-oxazole
CID 117638911
4-[5-[10-[6-(1,3-Oxazol-4-yl)-3-pyridinyl]-2-phenylanthracen-9-yl]-2-pyridinyl]-1,3-oxazole
CID 117638989
4-[5-[10-[6-(1,3-Oxazol-4-yl)-3-pyridinyl]-2-(2-phenylphenyl)anthracen-9-yl]-2-pyridinyl]-1,3-oxazole
CID 117638997
4-[5-[2-Naphthalen-2-yl-10-[6-(1,3-oxazol-4-yl)-3-pyridinyl]anthracen-9-yl]-2-pyridinyl]-1,3-oxazole
CID 117639062
4-[5-[2-Naphthalen-1-yl-10-[6-(1,3-oxazol-4-yl)-3-pyridinyl]anthracen-9-yl]-2-pyridinyl]-1,3-oxazole
CID 117639063

Frequently Asked Questions

What is the IUPAC name of ethane;4-(2-methylpropyl)-2-[(4-quinolin-4-ylcyclohexyl)methyl]-1,3-oxazole;bis(4-propan-2-yl-2-[(4-quinolin-4-ylcyclohexyl)methyl]-1,3-oxazole)?
The IUPAC name of ethane;4-(2-methylpropyl)-2-[(4-quinolin-4-ylcyclohexyl)methyl]-1,3-oxazole;bis(4-propan-2-yl-2-[(4-quinolin-4-ylcyclohexyl)methyl]-1,3-oxazole) (CID 142602697) is ethane;4-(2-methylpropyl)-2-[(4-quinolin-4-ylcyclohexyl)methyl]-1,3-oxazole;bis(4-propan-2-yl-2-[(4-quinolin-4-ylcyclohexyl)methyl]-1,3-oxazole).
What is the SMILES notation for ethane;4-(2-methylpropyl)-2-[(4-quinolin-4-ylcyclohexyl)methyl]-1,3-oxazole;bis(4-propan-2-yl-2-[(4-quinolin-4-ylcyclohexyl)methyl]-1,3-oxazole)?
The canonical SMILES for ethane;4-(2-methylpropyl)-2-[(4-quinolin-4-ylcyclohexyl)methyl]-1,3-oxazole;bis(4-propan-2-yl-2-[(4-quinolin-4-ylcyclohexyl)methyl]-1,3-oxazole) is CC.CC.CC(C)Cc1coc(CC2CCC(c3ccnc4ccccc34)CC2)n1.CC(C)c1coc(CC2CCC(c3ccnc4ccccc34)CC2)n1.CC(C)c1coc(CC2CCC(c3ccnc4ccccc34)CC2)n1.
What is the InChIKey of ethane;4-(2-methylpropyl)-2-[(4-quinolin-4-ylcyclohexyl)methyl]-1,3-oxazole;bis(4-propan-2-yl-2-[(4-quinolin-4-ylcyclohexyl)methyl]-1,3-oxazole)?
The InChIKey is MLZLZNFRSCEGRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O.2C22H26N2O.2C2H6/c1-16(2)13-19-15-26-23(25-19)14-17-7-9-18(10-8-17)20-11-12-24-22-6-4-3-5-21(20)22;2*1-15(2)21-14-25-22(24-21)13-16-7-9-17(10-8-16)18-11-12-23-20-6-4-3-5-19(18)20;2*1-2/h3-6,11-12,15-18H,7-10,13-14H2,1-2H3;2*3-6,11-12,14-17H,7-10,13H2,1-2H3;2*1-2H3.
What are the key properties of ethane;4-(2-methylpropyl)-2-[(4-quinolin-4-ylcyclohexyl)methyl]-1,3-oxazole;bis(4-propan-2-yl-2-[(4-quinolin-4-ylcyclohexyl)methyl]-1,3-oxazole)?
ethane;4-(2-methylpropyl)-2-[(4-quinolin-4-ylcyclohexyl)methyl]-1,3-oxazole;bis(4-propan-2-yl-2-[(4-quinolin-4-ylcyclohexyl)methyl]-1,3-oxazole) has a molecular weight of 1077.56 g/mol, XLogP of 19.72, 13 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-(2-methylpropyl)-2-[(4-quinolin-4-ylcyclohexyl)methyl]-1,3-oxazole;bis(4-propan-2-yl-2-[(4-quinolin-4-ylcyclohexyl)methyl]-1,3-oxazole) is sourced from PubChem (CID 142602697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).