4-phenyl-2-[(4-quinolin-4-ylcyclohexyl)methyl]-1,3-oxazole

C25H24N2O — CID 139302472

IUPAC4-phenyl-2-[(4-quinolin-4-ylcyclohexyl)methyl]-1,3-oxazole
SMILESc1ccc(-c2coc(CC3CCC(c4ccnc5ccccc45)CC3)n2)cc1
InChIInChI=1S/C25H24N2O/c1-2-6-20(7-3-1)24-17-28-25(27-24)16-18-10-12-19(13-11-18)21-14-15-26-23-9-5-4-8-22(21)23/h1-9,14-15,17-19H,10-13,16H2
InChIKeySGAXQHVYLYRICZ-UHFFFAOYSA-N
MW368.48 g/mol
LogP6.41
Rot. Bonds4

About 4-phenyl-2-[(4-quinolin-4-ylcyclohexyl)methyl]-1,3-oxazole

4-phenyl-2-[(4-quinolin-4-ylcyclohexyl)methyl]-1,3-oxazole (PubChem CID 139302472) has the molecular formula C25H24N2O and a molecular weight of 368.48 g/mol. Its IUPAC name is 4-phenyl-2-[(4-quinolin-4-ylcyclohexyl)methyl]-1,3-oxazole.

Molecular Properties

Compound Name4-phenyl-2-[(4-quinolin-4-ylcyclohexyl)methyl]-1,3-oxazole
PubChem CID139302472
Molecular FormulaC25H24N2O
Molecular Weight368.48 g/mol
Exact Mass368.19
IUPAC Name4-phenyl-2-[(4-quinolin-4-ylcyclohexyl)methyl]-1,3-oxazole
SMILESc1ccc(-c2coc(CC3CCC(c4ccnc5ccccc45)CC3)n2)cc1
InChIInChI=1S/C25H24N2O/c1-2-6-20(7-3-1)24-17-28-25(27-24)16-18-10-12-19(13-11-18)21-14-15-26-23-9-5-4-8-22(21)23/h1-9,14-15,17-19H,10-13,16H2
InChIKeySGAXQHVYLYRICZ-UHFFFAOYSA-N
XLogP6.41
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.48
LogP ≤ 56.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-cyclopentylquinoline
CID 57273226
acetic acid;azane;phenacyl 2-(4-quinolin-4-ylcyclohexyl)acetate;4-[4-[(5-phenyl-1H-imidazol-2-yl)methyl]cyclohexyl]quinoline
CID 160505769
3-methyl-2-[[2-(4-quinolin-4-ylcyclohexyl)acetyl]amino]butanoic acid
CID 138680331
N,N-bis(2-methylpropyl)-2-(4-quinolin-4-ylcyclohexyl)acetamide
CID 139302691
2-(chloromethyl)-4-phenyl-1,3-oxazole
CID 15133748
2-[[4-(6-fluoroquinolin-4-yl)cyclohexyl]methyl]-1H-benzo[f]benzimidazole
CID 138664532
2-[[4-(6-fluoroquinolin-4-yl)cyclohexyl]methyl]-5-methyl-1,3-oxazole
CID 134305867
4-[4-[1-(1H-benzimidazol-2-yl)ethyl]cyclohexyl]quinoline
CID 142602713
methyl (2S)-4-oxo-2-propan-2-yl-5-(4-quinolin-4-ylcyclohexyl)pentanoate
CID 160623464
(2-ethyl-5-methyl-1,3-oxazol-4-yl)-(4-quinolin-4-ylpiperidin-1-yl)methanone
CID 138035846
(NZ)-N-[2-phenyl-1-(4-quinolin-4-ylpiperidin-1-yl)ethylidene]hydroxylamine
CID 139429293
2-quinolin-4-yl-2,4-dihydro-1H-3,1-benzoxazine
CID 43818980

Frequently Asked Questions

What is the IUPAC name of 4-phenyl-2-[(4-quinolin-4-ylcyclohexyl)methyl]-1,3-oxazole?
The IUPAC name of 4-phenyl-2-[(4-quinolin-4-ylcyclohexyl)methyl]-1,3-oxazole (CID 139302472) is 4-phenyl-2-[(4-quinolin-4-ylcyclohexyl)methyl]-1,3-oxazole.
What is the SMILES notation for 4-phenyl-2-[(4-quinolin-4-ylcyclohexyl)methyl]-1,3-oxazole?
The canonical SMILES for 4-phenyl-2-[(4-quinolin-4-ylcyclohexyl)methyl]-1,3-oxazole is c1ccc(-c2coc(CC3CCC(c4ccnc5ccccc45)CC3)n2)cc1.
What is the InChIKey of 4-phenyl-2-[(4-quinolin-4-ylcyclohexyl)methyl]-1,3-oxazole?
The InChIKey is SGAXQHVYLYRICZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N2O/c1-2-6-20(7-3-1)24-17-28-25(27-24)16-18-10-12-19(13-11-18)21-14-15-26-23-9-5-4-8-22(21)23/h1-9,14-15,17-19H,10-13,16H2.
What are the key properties of 4-phenyl-2-[(4-quinolin-4-ylcyclohexyl)methyl]-1,3-oxazole?
4-phenyl-2-[(4-quinolin-4-ylcyclohexyl)methyl]-1,3-oxazole has a molecular weight of 368.48 g/mol, XLogP of 6.41, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-2-[(4-quinolin-4-ylcyclohexyl)methyl]-1,3-oxazole is sourced from PubChem (CID 139302472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).