2-methoxy-N-[[2-propan-2-yl-7-(trifluoromethyl)-1,3-benzoxazol-5-yl]methyl]cyclopentan-1-amine

C18H23F3N2O2 — CID 166556677

IUPAC2-methoxy-N-[[2-propan-2-yl-7-(trifluoromethyl)-1,3-benzoxazol-5-yl]methyl]cyclopentan-1-amine
SMILESCOC1CCCC1NCc1cc(C(F)(F)F)c2oc(C(C)C)nc2c1
InChIInChI=1S/C18H23F3N2O2/c1-10(2)17-23-14-8-11(7-12(16(14)25-17)18(19,20)21)9-22-13-5-4-6-15(13)24-3/h7-8,10,13,15,22H,4-6,9H2,1-3H3
InChIKeyXIGHPYSAZKUONE-UHFFFAOYSA-N
MW356.39 g/mol
LogP4.63
Rot. Bonds5

About 2-methoxy-N-[[2-propan-2-yl-7-(trifluoromethyl)-1,3-benzoxazol-5-yl]methyl]cyclopentan-1-amine

2-methoxy-N-[[2-propan-2-yl-7-(trifluoromethyl)-1,3-benzoxazol-5-yl]methyl]cyclopentan-1-amine (PubChem CID 166556677) has the molecular formula C18H23F3N2O2 and a molecular weight of 356.39 g/mol. Its IUPAC name is 2-methoxy-N-[[2-propan-2-yl-7-(trifluoromethyl)-1,3-benzoxazol-5-yl]methyl]cyclopentan-1-amine.

Molecular Properties

Compound Name2-methoxy-N-[[2-propan-2-yl-7-(trifluoromethyl)-1,3-benzoxazol-5-yl]methyl]cyclopentan-1-amine
PubChem CID166556677
Molecular FormulaC18H23F3N2O2
Molecular Weight356.39 g/mol
Exact Mass356.17
IUPAC Name2-methoxy-N-[[2-propan-2-yl-7-(trifluoromethyl)-1,3-benzoxazol-5-yl]methyl]cyclopentan-1-amine
SMILESCOC1CCCC1NCc1cc(C(F)(F)F)c2oc(C(C)C)nc2c1
InChIInChI=1S/C18H23F3N2O2/c1-10(2)17-23-14-8-11(7-12(16(14)25-17)18(19,20)21)9-22-13-5-4-6-15(13)24-3/h7-8,10,13,15,22H,4-6,9H2,1-3H3
InChIKeyXIGHPYSAZKUONE-UHFFFAOYSA-N
XLogP4.63
TPSA47.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.39
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-methoxy-N-[[2-propan-2-yl-7-(trifluoromethyl)-1,3-benzoxazol-5-yl]methyl]cyclopentan-1-amine with MolForge

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Launch Full Analysis

Related Compounds

2-[[2-propan-2-yl-7-(trifluoromethyl)-1,3-benzoxazol-5-yl]methylamino]cyclopentan-1-ol
CID 166557585
2-[[2-propan-2-yl-7-(trifluoromethyl)-1,3-benzoxazol-5-yl]methylamino]cyclohexan-1-ol
CID 166557173
trans-(1S,2S)-2-[[2-propan-2-yl-7-(trifluoromethyl)-1,3-benzoxazol-5-yl]methylamino]cyclohexan-1-ol
CID 166556290
cis-(1R,2S)-2-[(7-methoxy-2-propan-2-yl-1,3-benzoxazol-5-yl)methylamino]cyclopentan-1-ol
CID 167273871
cis-(1S,2R)-2-[(7-fluoro-2-propan-2-yl-1,3-benzoxazol-5-yl)methylamino]cyclopentan-1-ol
CID 166557590
cis-(1S,2R)-2-[[(1R)-1-[2-propan-2-yl-7-(trifluoromethyl)-1,3-benzoxazol-5-yl]ethyl]amino]cyclopentan-1-ol
CID 167275276
5-[[(3aR,6aS)-2,3a,4,5,6,6a-hexahydrocyclopenta[d][1,3]oxazol-3-yl]methyl]-2-propan-2-yl-7-(trifluoromethyl)-1,3-benzoxazole
CID 176752704
oxolane;[2-propan-2-yl-7-(trifluoromethyl)-1,3-benzoxazol-5-yl]methanamine
CID 166557567
azetidine;2-[2-propan-2-yl-7-(trifluoromethyl)-1,3-benzoxazol-5-yl]ethanol
CID 166556824
(2R)-2-methoxy-N-methyl-N-[[2-methyl-7-(trifluoromethyl)-1,3-benzoxazol-5-yl]methyl]cyclopentan-1-amine
CID 166556957
2-[(6-fluoro-7-methyl-2-propan-2-yl-1,3-benzoxazol-5-yl)methylamino]cyclopentan-1-ol
CID 166556863
[(1-hydroxycyclobutyl)methylamino]-[2-propan-2-yl-7-(trifluoromethyl)-1,3-benzoxazol-5-yl]methanediol
CID 166557943

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[[2-propan-2-yl-7-(trifluoromethyl)-1,3-benzoxazol-5-yl]methyl]cyclopentan-1-amine?
The IUPAC name of 2-methoxy-N-[[2-propan-2-yl-7-(trifluoromethyl)-1,3-benzoxazol-5-yl]methyl]cyclopentan-1-amine (CID 166556677) is 2-methoxy-N-[[2-propan-2-yl-7-(trifluoromethyl)-1,3-benzoxazol-5-yl]methyl]cyclopentan-1-amine.
What is the SMILES notation for 2-methoxy-N-[[2-propan-2-yl-7-(trifluoromethyl)-1,3-benzoxazol-5-yl]methyl]cyclopentan-1-amine?
The canonical SMILES for 2-methoxy-N-[[2-propan-2-yl-7-(trifluoromethyl)-1,3-benzoxazol-5-yl]methyl]cyclopentan-1-amine is COC1CCCC1NCc1cc(C(F)(F)F)c2oc(C(C)C)nc2c1.
What is the InChIKey of 2-methoxy-N-[[2-propan-2-yl-7-(trifluoromethyl)-1,3-benzoxazol-5-yl]methyl]cyclopentan-1-amine?
The InChIKey is XIGHPYSAZKUONE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23F3N2O2/c1-10(2)17-23-14-8-11(7-12(16(14)25-17)18(19,20)21)9-22-13-5-4-6-15(13)24-3/h7-8,10,13,15,22H,4-6,9H2,1-3H3.
What are the key properties of 2-methoxy-N-[[2-propan-2-yl-7-(trifluoromethyl)-1,3-benzoxazol-5-yl]methyl]cyclopentan-1-amine?
2-methoxy-N-[[2-propan-2-yl-7-(trifluoromethyl)-1,3-benzoxazol-5-yl]methyl]cyclopentan-1-amine has a molecular weight of 356.39 g/mol, XLogP of 4.63, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[[2-propan-2-yl-7-(trifluoromethyl)-1,3-benzoxazol-5-yl]methyl]cyclopentan-1-amine is sourced from PubChem (CID 166556677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).