N-methyl-1-(1,3-oxazol-5-yl)cyclopropan-1-amine;2,2,2-trifluoroacetic acid

C9H11F3N2O3 — CID 155255332

IUPACN-methyl-1-(1,3-oxazol-5-yl)cyclopropan-1-amine;2,2,2-trifluoroacetic acid
SMILESCNC1(c2cnco2)CC1.O=C(O)C(F)(F)F
InChIInChI=1S/C7H10N2O.C2HF3O2/c1-8-7(2-3-7)6-4-9-5-10-6;3-2(4,5)1(6)7/h4-5,8H,2-3H2,1H3;(H,6,7)
InChIKeyPBFSHFZDOYWXCH-UHFFFAOYSA-N
MW252.19 g/mol
LogP1.52
Rot. Bonds2

About N-methyl-1-(1,3-oxazol-5-yl)cyclopropan-1-amine;2,2,2-trifluoroacetic acid

N-methyl-1-(1,3-oxazol-5-yl)cyclopropan-1-amine;2,2,2-trifluoroacetic acid (PubChem CID 155255332) has the molecular formula C9H11F3N2O3 and a molecular weight of 252.19 g/mol. Its IUPAC name is N-methyl-1-(1,3-oxazol-5-yl)cyclopropan-1-amine;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound NameN-methyl-1-(1,3-oxazol-5-yl)cyclopropan-1-amine;2,2,2-trifluoroacetic acid
PubChem CID155255332
Molecular FormulaC9H11F3N2O3
Molecular Weight252.19 g/mol
Exact Mass252.07
IUPAC NameN-methyl-1-(1,3-oxazol-5-yl)cyclopropan-1-amine;2,2,2-trifluoroacetic acid
SMILESCNC1(c2cnco2)CC1.O=C(O)C(F)(F)F
InChIInChI=1S/C7H10N2O.C2HF3O2/c1-8-7(2-3-7)6-4-9-5-10-6;3-2(4,5)1(6)7/h4-5,8H,2-3H2,1H3;(H,6,7)
InChIKeyPBFSHFZDOYWXCH-UHFFFAOYSA-N
XLogP1.52
TPSA75.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.19
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Launch Full Analysis

Related Compounds

5-(5-Methylpiperidin-2-yl)-1,3-oxazole;2,2,2-trifluoroacetic acid
CID 169750808
3,3,3-Trifluoro-1-(1,3-oxazol-5-yl)propan-1-amine
CID 82409261
1-[2-(Difluoromethyl)-1,3-oxazol-5-yl]cyclopropan-1-amine
CID 84766599
1-[2-(2-Fluoropropan-2-yl)-1,3-oxazol-5-yl]cyclopropan-1-amine
CID 84769401
1-[2-(1,1-Difluoroethyl)-1,3-oxazol-5-yl]cyclopropan-1-amine
CID 84770656
2,2-Difluoro-1-(1,3-oxazol-5-yl)cyclopropan-1-amine
CID 165853823
3,3-Difluoro-1-(1,3-oxazol-5-yl)cyclobutan-1-amine
CID 165853907
tert-butyl N-methyl-N-[1-(1,3-oxazol-5-yl)cyclopropyl]carbamate
CID 142576896
N-Methyl-1-(oxazol-5-yl)cyclopropan-1-amine
CID 142576936
1-Oxazol-5-yl-cyclopropylamine
CID 82593600
1-(2-Methoxy-1,3-oxazol-5-yl)cyclopropan-1-amine
CID 84763468
tert-butyl N-[(1S)-1-(1,3-oxazol-5-yl)propyl]carbamate
CID 104941374

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(1,3-oxazol-5-yl)cyclopropan-1-amine;2,2,2-trifluoroacetic acid?
The IUPAC name of N-methyl-1-(1,3-oxazol-5-yl)cyclopropan-1-amine;2,2,2-trifluoroacetic acid (CID 155255332) is N-methyl-1-(1,3-oxazol-5-yl)cyclopropan-1-amine;2,2,2-trifluoroacetic acid.
What is the SMILES notation for N-methyl-1-(1,3-oxazol-5-yl)cyclopropan-1-amine;2,2,2-trifluoroacetic acid?
The canonical SMILES for N-methyl-1-(1,3-oxazol-5-yl)cyclopropan-1-amine;2,2,2-trifluoroacetic acid is CNC1(c2cnco2)CC1.O=C(O)C(F)(F)F.
What is the InChIKey of N-methyl-1-(1,3-oxazol-5-yl)cyclopropan-1-amine;2,2,2-trifluoroacetic acid?
The InChIKey is PBFSHFZDOYWXCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O.C2HF3O2/c1-8-7(2-3-7)6-4-9-5-10-6;3-2(4,5)1(6)7/h4-5,8H,2-3H2,1H3;(H,6,7).
What are the key properties of N-methyl-1-(1,3-oxazol-5-yl)cyclopropan-1-amine;2,2,2-trifluoroacetic acid?
N-methyl-1-(1,3-oxazol-5-yl)cyclopropan-1-amine;2,2,2-trifluoroacetic acid has a molecular weight of 252.19 g/mol, XLogP of 1.52, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(1,3-oxazol-5-yl)cyclopropan-1-amine;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 155255332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).