1-[2-(2-fluoropropan-2-yl)-1,3-oxazol-5-yl]cyclopropan-1-amine

C9H13FN2O — CID 84769401

IUPAC1-[2-(2-fluoropropan-2-yl)-1,3-oxazol-5-yl]cyclopropan-1-amine
SMILESCC(C)(F)c1ncc(C2(N)CC2)o1
InChIInChI=1S/C9H13FN2O/c1-8(2,10)7-12-5-6(13-7)9(11)3-4-9/h5H,3-4,11H2,1-2H3
InChIKeyQVKIPOSJTFRYIE-UHFFFAOYSA-N
MW184.21 g/mol
LogP1.83
Rot. Bonds2

About 1-[2-(2-fluoropropan-2-yl)-1,3-oxazol-5-yl]cyclopropan-1-amine

1-[2-(2-fluoropropan-2-yl)-1,3-oxazol-5-yl]cyclopropan-1-amine (PubChem CID 84769401) has the molecular formula C9H13FN2O and a molecular weight of 184.21 g/mol. Its IUPAC name is 1-[2-(2-fluoropropan-2-yl)-1,3-oxazol-5-yl]cyclopropan-1-amine.

Molecular Properties

Compound Name1-[2-(2-fluoropropan-2-yl)-1,3-oxazol-5-yl]cyclopropan-1-amine
PubChem CID84769401
Molecular FormulaC9H13FN2O
Molecular Weight184.21 g/mol
Exact Mass184.10
IUPAC Name1-[2-(2-fluoropropan-2-yl)-1,3-oxazol-5-yl]cyclopropan-1-amine
SMILESCC(C)(F)c1ncc(C2(N)CC2)o1
InChIInChI=1S/C9H13FN2O/c1-8(2,10)7-12-5-6(13-7)9(11)3-4-9/h5H,3-4,11H2,1-2H3
InChIKeyQVKIPOSJTFRYIE-UHFFFAOYSA-N
XLogP1.83
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.21
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(5-Cyclopropyl-1,3-oxazol-2-yl)methanamine
CID 64989250
((5-Cyclopropyl-1,3-oxazol-2-yl)methyl)(methyl)amine dihydrochloride
CID 146050201
5-Cyclopropyl-2-propan-2-yl-1,3-oxazole
CID 135061563
[(5-Cyclopropyl-1,3-oxazol-2-yl)methyl](methyl)amine
CID 65178506
2-Tert-butyl-5-(2,2-difluorocyclopropyl)-1,3-oxazole
CID 57181698
N-methyl-1-(1,3-oxazol-5-yl)cyclopropan-1-amine;2,2,2-trifluoroacetic acid
CID 155255332
2-Methyl-5-(3,3,3-trifluoro-2,2-dimethylpropyl)-1,3-oxazole
CID 163410989
N-[2-[5-(3,3,3-trifluoropropyl)-1,3-oxazol-2-yl]ethyl]propan-2-amine
CID 65713024
N-[2-[5-(3,3,3-trifluoropropyl)-1,3-oxazol-2-yl]ethyl]cyclopropanamine
CID 65713025
2-methyl-N-[2-[5-(3,3,3-trifluoropropyl)-1,3-oxazol-2-yl]ethyl]propan-2-amine
CID 65713026
2-methyl-N-[2-[5-(3,3,3-trifluoropropyl)-1,3-oxazol-2-yl]ethyl]propan-1-amine
CID 65713233
N-methyl-3-[5-(3,3,3-trifluoropropyl)-1,3-oxazol-2-yl]propan-1-amine
CID 65713235

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-fluoropropan-2-yl)-1,3-oxazol-5-yl]cyclopropan-1-amine?
The IUPAC name of 1-[2-(2-fluoropropan-2-yl)-1,3-oxazol-5-yl]cyclopropan-1-amine (CID 84769401) is 1-[2-(2-fluoropropan-2-yl)-1,3-oxazol-5-yl]cyclopropan-1-amine.
What is the SMILES notation for 1-[2-(2-fluoropropan-2-yl)-1,3-oxazol-5-yl]cyclopropan-1-amine?
The canonical SMILES for 1-[2-(2-fluoropropan-2-yl)-1,3-oxazol-5-yl]cyclopropan-1-amine is CC(C)(F)c1ncc(C2(N)CC2)o1.
What is the InChIKey of 1-[2-(2-fluoropropan-2-yl)-1,3-oxazol-5-yl]cyclopropan-1-amine?
The InChIKey is QVKIPOSJTFRYIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13FN2O/c1-8(2,10)7-12-5-6(13-7)9(11)3-4-9/h5H,3-4,11H2,1-2H3.
What are the key properties of 1-[2-(2-fluoropropan-2-yl)-1,3-oxazol-5-yl]cyclopropan-1-amine?
1-[2-(2-fluoropropan-2-yl)-1,3-oxazol-5-yl]cyclopropan-1-amine has a molecular weight of 184.21 g/mol, XLogP of 1.83, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-fluoropropan-2-yl)-1,3-oxazol-5-yl]cyclopropan-1-amine is sourced from PubChem (CID 84769401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).