N-(cyclohexylmethyl)-6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-7-fluoro-1,2-benzoxazol-3-amine

C20H28FN3O2 — CID 141266232

IUPACN-(cyclohexylmethyl)-6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-7-fluoro-1,2-benzoxazol-3-amine
SMILESC[C@@H]1CN(c2ccc3c(NCC4CCCCC4)noc3c2F)C[C@H](C)O1
InChIInChI=1S/C20H28FN3O2/c1-13-11-24(12-14(2)25-13)17-9-8-16-19(18(17)21)26-23-20(16)22-10-15-6-4-3-5-7-15/h8-9,13-15H,3-7,10-12H2,1-2H3,(H,22,23)/t13-,14+
InChIKeyJPPOVVYEQSMMBW-OKILXGFUSA-N
MW361.46 g/mol
LogP4.57
Rot. Bonds4

About N-(cyclohexylmethyl)-6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-7-fluoro-1,2-benzoxazol-3-amine

N-(cyclohexylmethyl)-6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-7-fluoro-1,2-benzoxazol-3-amine (PubChem CID 141266232) has the molecular formula C20H28FN3O2 and a molecular weight of 361.46 g/mol. Its IUPAC name is N-(cyclohexylmethyl)-6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-7-fluoro-1,2-benzoxazol-3-amine.

Molecular Properties

Compound NameN-(cyclohexylmethyl)-6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-7-fluoro-1,2-benzoxazol-3-amine
PubChem CID141266232
Molecular FormulaC20H28FN3O2
Molecular Weight361.46 g/mol
Exact Mass361.22
IUPAC NameN-(cyclohexylmethyl)-6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-7-fluoro-1,2-benzoxazol-3-amine
SMILESC[C@@H]1CN(c2ccc3c(NCC4CCCCC4)noc3c2F)C[C@H](C)O1
InChIInChI=1S/C20H28FN3O2/c1-13-11-24(12-14(2)25-13)17-9-8-16-19(18(17)21)26-23-20(16)22-10-15-6-4-3-5-7-15/h8-9,13-15H,3-7,10-12H2,1-2H3,(H,22,23)/t13-,14+
InChIKeyJPPOVVYEQSMMBW-OKILXGFUSA-N
XLogP4.57
TPSA50.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.46
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(cyclohexylmethyl)-6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-7-fluoro-1,2-benzoxazol-3-amine with MolForge

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Launch Full Analysis

Related Compounds

6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-7-fluoro-N-methyl-N-propyl-1,2-benzoxazol-3-amine
CID 141266263
6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-7-fluoro-3-(1H-pyrazol-4-yl)-1,2-benzoxazole
CID 141266261
6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-7-fluoro-3-pyridazin-3-yl-1,2-benzoxazole
CID 141266264
(4'S,6'R,7'R)-13'-(cyclohexylmethylamino)-17'-fluoro-4',6'-dimethylspiro[1,3-diazinane-5,8'-5,15-dioxa-2,14-diazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(17),10,12(16),13-tetraene]-2,4,6-trione
CID 67434435
6-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-7-fluoro-3-methyl-1,2-benzoxazole
CID 141266246
N-[4-[[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2,3-difluoroanilino]methyl]cyclohexyl]-2-methylpropane-2-sulfonamide
CID 70939615
[6-(2,6-dimethylmorpholin-4-yl)-7-fluoro-3-(pyridin-4-ylmethylamino)-1,2-benzoxazol-5-yl]methanol
CID 77275764
4-[(2R)-2,6-dimethylmorpholin-4-yl]-2,3-difluoro-N-methylaniline
CID 70839117
6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-7-fluoro-3-[(1-methylpyrazol-4-yl)methylamino]-1,2-benzoxazole-5-carbaldehyde
CID 87369427
6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-7-fluoro-3-(1H-imidazol-5-ylmethylamino)-1,2-benzoxazole-5-carbaldehyde
CID 87368695
N-[[3-(2,6-dimethylmorpholin-4-yl)-4-fluorophenyl]methyl]cyclopentanamine
CID 84753547
N-(cyclohexylmethyl)-5-methyl-1,2-oxazol-3-amine
CID 73349510

Frequently Asked Questions

What is the IUPAC name of N-(cyclohexylmethyl)-6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-7-fluoro-1,2-benzoxazol-3-amine?
The IUPAC name of N-(cyclohexylmethyl)-6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-7-fluoro-1,2-benzoxazol-3-amine (CID 141266232) is N-(cyclohexylmethyl)-6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-7-fluoro-1,2-benzoxazol-3-amine.
What is the SMILES notation for N-(cyclohexylmethyl)-6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-7-fluoro-1,2-benzoxazol-3-amine?
The canonical SMILES for N-(cyclohexylmethyl)-6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-7-fluoro-1,2-benzoxazol-3-amine is C[C@@H]1CN(c2ccc3c(NCC4CCCCC4)noc3c2F)C[C@H](C)O1.
What is the InChIKey of N-(cyclohexylmethyl)-6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-7-fluoro-1,2-benzoxazol-3-amine?
The InChIKey is JPPOVVYEQSMMBW-OKILXGFUSA-N. The full InChI is InChI=1S/C20H28FN3O2/c1-13-11-24(12-14(2)25-13)17-9-8-16-19(18(17)21)26-23-20(16)22-10-15-6-4-3-5-7-15/h8-9,13-15H,3-7,10-12H2,1-2H3,(H,22,23)/t13-,14+.
What are the key properties of N-(cyclohexylmethyl)-6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-7-fluoro-1,2-benzoxazol-3-amine?
N-(cyclohexylmethyl)-6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-7-fluoro-1,2-benzoxazol-3-amine has a molecular weight of 361.46 g/mol, XLogP of 4.57, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexylmethyl)-6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-7-fluoro-1,2-benzoxazol-3-amine is sourced from PubChem (CID 141266232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).