6-fluoro-N-[(2R)-1-[4-(6-fluoroquinolin-4-yl)cyclohexyl]propan-2-yl]-1,3-benzoxazol-2-amine

C25H25F2N3O — CID 168891031

IUPAC6-fluoro-N-[(2R)-1-[4-(6-fluoroquinolin-4-yl)cyclohexyl]propan-2-yl]-1,3-benzoxazol-2-amine
SMILESC[C@H](CC1CCC(c2ccnc3ccc(F)cc23)CC1)Nc1nc2ccc(F)cc2o1
InChIInChI=1S/C25H25F2N3O/c1-15(29-25-30-23-9-7-19(27)14-24(23)31-25)12-16-2-4-17(5-3-16)20-10-11-28-22-8-6-18(26)13-21(20)22/h6-11,13-17H,2-5,12H2,1H3,(H,29,30)/t15-,16?,17?/m1/s1
InChIKeyLIZANMJUUFTHMM-KLAILNCOSA-N
MW421.49 g/mol
LogP6.82
Rot. Bonds5

About 6-fluoro-N-[(2R)-1-[4-(6-fluoroquinolin-4-yl)cyclohexyl]propan-2-yl]-1,3-benzoxazol-2-amine

6-fluoro-N-[(2R)-1-[4-(6-fluoroquinolin-4-yl)cyclohexyl]propan-2-yl]-1,3-benzoxazol-2-amine (PubChem CID 168891031) has the molecular formula C25H25F2N3O and a molecular weight of 421.49 g/mol. Its IUPAC name is 6-fluoro-N-[(2R)-1-[4-(6-fluoroquinolin-4-yl)cyclohexyl]propan-2-yl]-1,3-benzoxazol-2-amine.

Molecular Properties

Compound Name6-fluoro-N-[(2R)-1-[4-(6-fluoroquinolin-4-yl)cyclohexyl]propan-2-yl]-1,3-benzoxazol-2-amine
PubChem CID168891031
Molecular FormulaC25H25F2N3O
Molecular Weight421.49 g/mol
Exact Mass421.20
IUPAC Name6-fluoro-N-[(2R)-1-[4-(6-fluoroquinolin-4-yl)cyclohexyl]propan-2-yl]-1,3-benzoxazol-2-amine
SMILESC[C@H](CC1CCC(c2ccnc3ccc(F)cc23)CC1)Nc1nc2ccc(F)cc2o1
InChIInChI=1S/C25H25F2N3O/c1-15(29-25-30-23-9-7-19(27)14-24(23)31-25)12-16-2-4-17(5-3-16)20-10-11-28-22-8-6-18(26)13-21(20)22/h6-11,13-17H,2-5,12H2,1H3,(H,29,30)/t15-,16?,17?/m1/s1
InChIKeyLIZANMJUUFTHMM-KLAILNCOSA-N
XLogP6.82
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500421.49
LogP ≤ 56.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 6-fluoro-N-[(2R)-1-[4-(6-fluoroquinolin-4-yl)cyclohexyl]propan-2-yl]-1,3-benzoxazol-2-amine with MolForge

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Related Compounds

(2R)-1-[4-(6-fluoroquinolin-4-yl)cyclohexyl]propan-2-amine;hydrochloride
CID 168891038
7-chloro-N-[1-[4-(6-fluoroquinolin-4-yl)cyclohexyl]propan-2-yl]-1,3-benzothiazol-2-amine
CID 174185685
(2R)-1-[4-(6-fluoroquinolin-4-yl)cyclohexyl]butan-2-amine
CID 168891034
N-[[4-(6-fluoroquinolin-4-yl)cyclohexyl]methyl]formamide
CID 142279689
ethane;[4-(6-fluoroquinolin-4-yl)cyclohexyl]methanamine
CID 142561485
5-(4-fluorophenyl)-N-[(1R)-1-[4-(6-fluoroquinolin-4-yl)cyclohexyl]ethyl]-1,3,4-oxadiazol-2-amine
CID 166731297
1-tert-butyl-2-[[4-(6-fluoroquinolin-4-yl)cyclohexyl]methyl]hydrazine
CID 175080471
5-cyclohexyl-N-[(1R)-1-[4-(6-fluoroquinolin-4-yl)cyclohexyl]ethyl]-1,3,4-oxadiazol-2-amine
CID 134284300
2-N-(6-fluoro-1,3-benzoxazol-2-yl)propane-1,2-diamine
CID 83834399
4-(4-cyclopropylcyclohexyl)-6-fluoroquinoline
CID 154996564
2-[[4-(6-fluoroquinolin-4-yl)cyclohexyl]methyl]-5-methyl-1,3-oxazole
CID 134305867
6-fluoro-4-[4-[(6-propan-2-yl-1H-benzimidazol-2-yl)methyl]cyclohexyl]quinoline
CID 138664200

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-N-[(2R)-1-[4-(6-fluoroquinolin-4-yl)cyclohexyl]propan-2-yl]-1,3-benzoxazol-2-amine?
The IUPAC name of 6-fluoro-N-[(2R)-1-[4-(6-fluoroquinolin-4-yl)cyclohexyl]propan-2-yl]-1,3-benzoxazol-2-amine (CID 168891031) is 6-fluoro-N-[(2R)-1-[4-(6-fluoroquinolin-4-yl)cyclohexyl]propan-2-yl]-1,3-benzoxazol-2-amine.
What is the SMILES notation for 6-fluoro-N-[(2R)-1-[4-(6-fluoroquinolin-4-yl)cyclohexyl]propan-2-yl]-1,3-benzoxazol-2-amine?
The canonical SMILES for 6-fluoro-N-[(2R)-1-[4-(6-fluoroquinolin-4-yl)cyclohexyl]propan-2-yl]-1,3-benzoxazol-2-amine is C[C@H](CC1CCC(c2ccnc3ccc(F)cc23)CC1)Nc1nc2ccc(F)cc2o1.
What is the InChIKey of 6-fluoro-N-[(2R)-1-[4-(6-fluoroquinolin-4-yl)cyclohexyl]propan-2-yl]-1,3-benzoxazol-2-amine?
The InChIKey is LIZANMJUUFTHMM-KLAILNCOSA-N. The full InChI is InChI=1S/C25H25F2N3O/c1-15(29-25-30-23-9-7-19(27)14-24(23)31-25)12-16-2-4-17(5-3-16)20-10-11-28-22-8-6-18(26)13-21(20)22/h6-11,13-17H,2-5,12H2,1H3,(H,29,30)/t15-,16?,17?/m1/s1.
What are the key properties of 6-fluoro-N-[(2R)-1-[4-(6-fluoroquinolin-4-yl)cyclohexyl]propan-2-yl]-1,3-benzoxazol-2-amine?
6-fluoro-N-[(2R)-1-[4-(6-fluoroquinolin-4-yl)cyclohexyl]propan-2-yl]-1,3-benzoxazol-2-amine has a molecular weight of 421.49 g/mol, XLogP of 6.82, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-N-[(2R)-1-[4-(6-fluoroquinolin-4-yl)cyclohexyl]propan-2-yl]-1,3-benzoxazol-2-amine is sourced from PubChem (CID 168891031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).