1-[2-(2-fluoropropan-2-yl)-1,3-oxazol-4-yl]cyclopropan-1-amine

C9H13FN2O — CID 84769400

IUPAC1-[2-(2-fluoropropan-2-yl)-1,3-oxazol-4-yl]cyclopropan-1-amine
SMILESCC(C)(F)c1nc(C2(N)CC2)co1
InChIInChI=1S/C9H13FN2O/c1-8(2,10)7-12-6(5-13-7)9(11)3-4-9/h5H,3-4,11H2,1-2H3
InChIKeyDQMUPWJNHRNQBK-UHFFFAOYSA-N
MW184.21 g/mol
LogP1.83
Rot. Bonds2

About 1-[2-(2-fluoropropan-2-yl)-1,3-oxazol-4-yl]cyclopropan-1-amine

1-[2-(2-fluoropropan-2-yl)-1,3-oxazol-4-yl]cyclopropan-1-amine (PubChem CID 84769400) 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-4-yl]cyclopropan-1-amine.

Molecular Properties

Compound Name1-[2-(2-fluoropropan-2-yl)-1,3-oxazol-4-yl]cyclopropan-1-amine
PubChem CID84769400
Molecular FormulaC9H13FN2O
Molecular Weight184.21 g/mol
Exact Mass184.10
IUPAC Name1-[2-(2-fluoropropan-2-yl)-1,3-oxazol-4-yl]cyclopropan-1-amine
SMILESCC(C)(F)c1nc(C2(N)CC2)co1
InChIInChI=1S/C9H13FN2O/c1-8(2,10)7-12-6(5-13-7)9(11)3-4-9/h5H,3-4,11H2,1-2H3
InChIKeyDQMUPWJNHRNQBK-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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Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-fluoropropan-2-yl)-1,3-oxazol-4-yl]cyclopropan-1-amine?
The IUPAC name of 1-[2-(2-fluoropropan-2-yl)-1,3-oxazol-4-yl]cyclopropan-1-amine (CID 84769400) is 1-[2-(2-fluoropropan-2-yl)-1,3-oxazol-4-yl]cyclopropan-1-amine.
What is the SMILES notation for 1-[2-(2-fluoropropan-2-yl)-1,3-oxazol-4-yl]cyclopropan-1-amine?
The canonical SMILES for 1-[2-(2-fluoropropan-2-yl)-1,3-oxazol-4-yl]cyclopropan-1-amine is CC(C)(F)c1nc(C2(N)CC2)co1.
What is the InChIKey of 1-[2-(2-fluoropropan-2-yl)-1,3-oxazol-4-yl]cyclopropan-1-amine?
The InChIKey is DQMUPWJNHRNQBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13FN2O/c1-8(2,10)7-12-6(5-13-7)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-4-yl]cyclopropan-1-amine?
1-[2-(2-fluoropropan-2-yl)-1,3-oxazol-4-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-4-yl]cyclopropan-1-amine is sourced from PubChem (CID 84769400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).