2-[[4-(6-fluoroquinolin-4-yl)cyclohexyl]methyl]-5-methyl-1,3-oxazole

C20H21FN2O — CID 134305867

IUPAC2-[[4-(6-fluoroquinolin-4-yl)cyclohexyl]methyl]-5-methyl-1,3-oxazole
SMILESCc1cnc(CC2CCC(c3ccnc4ccc(F)cc34)CC2)o1
InChIInChI=1S/C20H21FN2O/c1-13-12-23-20(24-13)10-14-2-4-15(5-3-14)17-8-9-22-19-7-6-16(21)11-18(17)19/h6-9,11-12,14-15H,2-5,10H2,1H3
InChIKeyFBMNUVDNDWUBPB-UHFFFAOYSA-N
MW324.40 g/mol
LogP5.19
Rot. Bonds3

About 2-[[4-(6-fluoroquinolin-4-yl)cyclohexyl]methyl]-5-methyl-1,3-oxazole

2-[[4-(6-fluoroquinolin-4-yl)cyclohexyl]methyl]-5-methyl-1,3-oxazole (PubChem CID 134305867) has the molecular formula C20H21FN2O and a molecular weight of 324.40 g/mol. Its IUPAC name is 2-[[4-(6-fluoroquinolin-4-yl)cyclohexyl]methyl]-5-methyl-1,3-oxazole.

Molecular Properties

Compound Name2-[[4-(6-fluoroquinolin-4-yl)cyclohexyl]methyl]-5-methyl-1,3-oxazole
PubChem CID134305867
Molecular FormulaC20H21FN2O
Molecular Weight324.40 g/mol
Exact Mass324.16
IUPAC Name2-[[4-(6-fluoroquinolin-4-yl)cyclohexyl]methyl]-5-methyl-1,3-oxazole
SMILESCc1cnc(CC2CCC(c3ccnc4ccc(F)cc34)CC2)o1
InChIInChI=1S/C20H21FN2O/c1-13-12-23-20(24-13)10-14-2-4-15(5-3-14)17-8-9-22-19-7-6-16(21)11-18(17)19/h6-9,11-12,14-15H,2-5,10H2,1H3
InChIKeyFBMNUVDNDWUBPB-UHFFFAOYSA-N
XLogP5.19
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500324.40
LogP ≤ 55.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethane;[4-(6-fluoroquinolin-4-yl)cyclohexyl]methanamine
CID 142561485
4-(4-cyclopropylcyclohexyl)-6-fluoroquinoline
CID 154996564
(2R)-1-[4-(6-fluoroquinolin-4-yl)cyclohexyl]propan-2-amine;hydrochloride
CID 168891038
1-tert-butyl-2-[[4-(6-fluoroquinolin-4-yl)cyclohexyl]methyl]hydrazine
CID 175080471
N-[[4-(6-fluoroquinolin-4-yl)cyclohexyl]methyl]formamide
CID 142279689
(2R)-1-[4-(6-fluoroquinolin-4-yl)cyclohexyl]butan-2-amine
CID 168891034
2-[[4-(6-fluoroquinolin-4-yl)cyclohexyl]methyl]-1H-benzo[f]benzimidazole
CID 138664532
6-fluoro-4-[4-[(6-propan-2-yl-1H-benzimidazol-2-yl)methyl]cyclohexyl]quinoline
CID 138664200
[5-(6-fluoroquinolin-4-yl)oxan-2-yl]methanol
CID 155683148
6-fluoro-4-[4-(2-isocyanatoethyl)cyclohexyl]quinoline
CID 134284395
6-fluoro-N-[(2R)-1-[4-(6-fluoroquinolin-4-yl)cyclohexyl]propan-2-yl]-1,3-benzoxazol-2-amine
CID 168891031
4-[4-(2-tert-butylcyclopropyl)cyclohexyl]-6-fluoroquinoline
CID 175384912

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(6-fluoroquinolin-4-yl)cyclohexyl]methyl]-5-methyl-1,3-oxazole?
The IUPAC name of 2-[[4-(6-fluoroquinolin-4-yl)cyclohexyl]methyl]-5-methyl-1,3-oxazole (CID 134305867) is 2-[[4-(6-fluoroquinolin-4-yl)cyclohexyl]methyl]-5-methyl-1,3-oxazole.
What is the SMILES notation for 2-[[4-(6-fluoroquinolin-4-yl)cyclohexyl]methyl]-5-methyl-1,3-oxazole?
The canonical SMILES for 2-[[4-(6-fluoroquinolin-4-yl)cyclohexyl]methyl]-5-methyl-1,3-oxazole is Cc1cnc(CC2CCC(c3ccnc4ccc(F)cc34)CC2)o1.
What is the InChIKey of 2-[[4-(6-fluoroquinolin-4-yl)cyclohexyl]methyl]-5-methyl-1,3-oxazole?
The InChIKey is FBMNUVDNDWUBPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN2O/c1-13-12-23-20(24-13)10-14-2-4-15(5-3-14)17-8-9-22-19-7-6-16(21)11-18(17)19/h6-9,11-12,14-15H,2-5,10H2,1H3.
What are the key properties of 2-[[4-(6-fluoroquinolin-4-yl)cyclohexyl]methyl]-5-methyl-1,3-oxazole?
2-[[4-(6-fluoroquinolin-4-yl)cyclohexyl]methyl]-5-methyl-1,3-oxazole has a molecular weight of 324.40 g/mol, XLogP of 5.19, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(6-fluoroquinolin-4-yl)cyclohexyl]methyl]-5-methyl-1,3-oxazole is sourced from PubChem (CID 134305867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).