1-[[5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazol-3-yl]oxymethyl]cyclopropan-1-amine

C18H15F3N2O3 — CID 144869415

IUPAC1-[[5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazol-3-yl]oxymethyl]cyclopropan-1-amine
SMILESNC1(COc2noc3ccc(-c4ccc(OC(F)(F)F)cc4)cc23)CC1
InChIInChI=1S/C18H15F3N2O3/c19-18(20,21)25-13-4-1-11(2-5-13)12-3-6-15-14(9-12)16(23-26-15)24-10-17(22)7-8-17/h1-6,9H,7-8,10,22H2
InChIKeyGTOIMTGJUPVKGN-UHFFFAOYSA-N
MW364.32 g/mol
LogP4.26
Rot. Bonds5

About 1-[[5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazol-3-yl]oxymethyl]cyclopropan-1-amine

1-[[5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazol-3-yl]oxymethyl]cyclopropan-1-amine (PubChem CID 144869415) has the molecular formula C18H15F3N2O3 and a molecular weight of 364.32 g/mol. Its IUPAC name is 1-[[5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazol-3-yl]oxymethyl]cyclopropan-1-amine.

Molecular Properties

Compound Name1-[[5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazol-3-yl]oxymethyl]cyclopropan-1-amine
PubChem CID144869415
Molecular FormulaC18H15F3N2O3
Molecular Weight364.32 g/mol
Exact Mass364.10
IUPAC Name1-[[5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazol-3-yl]oxymethyl]cyclopropan-1-amine
SMILESNC1(COc2noc3ccc(-c4ccc(OC(F)(F)F)cc4)cc23)CC1
InChIInChI=1S/C18H15F3N2O3/c19-18(20,21)25-13-4-1-11(2-5-13)12-3-6-15-14(9-12)16(23-26-15)24-10-17(22)7-8-17/h1-6,9H,7-8,10,22H2
InChIKeyGTOIMTGJUPVKGN-UHFFFAOYSA-N
XLogP4.26
TPSA70.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.32
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-ethoxy-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole
CID 118183140
(Z)-1-hydrazinyl-3-[[5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazol-3-yl]oxy]prop-1-en-2-amine
CID 144869431
3-(2-pyridin-2-ylethoxy)-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole
CID 118164405
3-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methoxy]-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole
CID 118161894
3-[(2-cyclopropyl-2,3-dihydro-1,3,4-oxadiazol-5-yl)methoxy]-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole
CID 134255139
3-[[4-(1,1-difluoroethyl)pyrimidin-2-yl]methoxy]-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole
CID 118180309
3-[(1-phenylimidazol-2-yl)methoxy]-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole
CID 118161967
1-[(2S)-2-[[5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazol-3-yl]oxymethyl]pyrrolidin-1-yl]ethanone
CID 118162009
1-[(3S)-3-[2-[[5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazol-3-yl]oxy]ethyl]morpholin-4-yl]ethanone
CID 126735367
2-tert-butyl-3-[[5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazol-3-yl]oxymethyl]morpholine-4-carboxylic acid
CID 118161856
tert-butyl 2-bromoacetate;tert-butyl 2-[[5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazol-3-yl]oxy]acetate;5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazol-3-one
CID 158359184
[5-[4-(1-amino-1-fluoroethoxy)phenyl]-1,2-benzoxazol-3-yl] N'-methyl-N-[(Z)-prop-1-enyl]carbamimidate
CID 144869521

Frequently Asked Questions

What is the IUPAC name of 1-[[5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazol-3-yl]oxymethyl]cyclopropan-1-amine?
The IUPAC name of 1-[[5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazol-3-yl]oxymethyl]cyclopropan-1-amine (CID 144869415) is 1-[[5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazol-3-yl]oxymethyl]cyclopropan-1-amine.
What is the SMILES notation for 1-[[5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazol-3-yl]oxymethyl]cyclopropan-1-amine?
The canonical SMILES for 1-[[5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazol-3-yl]oxymethyl]cyclopropan-1-amine is NC1(COc2noc3ccc(-c4ccc(OC(F)(F)F)cc4)cc23)CC1.
What is the InChIKey of 1-[[5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazol-3-yl]oxymethyl]cyclopropan-1-amine?
The InChIKey is GTOIMTGJUPVKGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F3N2O3/c19-18(20,21)25-13-4-1-11(2-5-13)12-3-6-15-14(9-12)16(23-26-15)24-10-17(22)7-8-17/h1-6,9H,7-8,10,22H2.
What are the key properties of 1-[[5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazol-3-yl]oxymethyl]cyclopropan-1-amine?
1-[[5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazol-3-yl]oxymethyl]cyclopropan-1-amine has a molecular weight of 364.32 g/mol, XLogP of 4.26, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazol-3-yl]oxymethyl]cyclopropan-1-amine is sourced from PubChem (CID 144869415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).