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

C12H18N2O — CID 105459498

IUPAC1-[2-(2-cyclobutyl-1,3-oxazol-4-yl)ethyl]cyclopropan-1-amine
SMILESNC1(CCc2coc(C3CCC3)n2)CC1
InChIInChI=1S/C12H18N2O/c13-12(6-7-12)5-4-10-8-15-11(14-10)9-2-1-3-9/h8-9H,1-7,13H2
InChIKeyZRKKLTNCZZEAEA-UHFFFAOYSA-N
MW206.29 g/mol
LogP2.37
Rot. Bonds4

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

1-[2-(2-cyclobutyl-1,3-oxazol-4-yl)ethyl]cyclopropan-1-amine (PubChem CID 105459498) has the molecular formula C12H18N2O and a molecular weight of 206.29 g/mol. Its IUPAC name is 1-[2-(2-cyclobutyl-1,3-oxazol-4-yl)ethyl]cyclopropan-1-amine.

Molecular Properties

Compound Name1-[2-(2-cyclobutyl-1,3-oxazol-4-yl)ethyl]cyclopropan-1-amine
PubChem CID105459498
Molecular FormulaC12H18N2O
Molecular Weight206.29 g/mol
Exact Mass206.14
IUPAC Name1-[2-(2-cyclobutyl-1,3-oxazol-4-yl)ethyl]cyclopropan-1-amine
SMILESNC1(CCc2coc(C3CCC3)n2)CC1
InChIInChI=1S/C12H18N2O/c13-12(6-7-12)5-4-10-8-15-11(14-10)9-2-1-3-9/h8-9H,1-7,13H2
InChIKeyZRKKLTNCZZEAEA-UHFFFAOYSA-N
XLogP2.37
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-cyclopentyl-1,3-oxazol-4-yl)ethanamine
CID 115015683
1-[2-(2-tert-butyl-1,3-oxazol-4-yl)ethyl]cyclopropan-1-amine
CID 105462198
2-cyclopropyl-4-propyl-1,3-oxazole
CID 89181319
3-[2-(thian-4-yl)-1,3-oxazol-4-yl]propan-1-amine
CID 115035817
N-methyl-3-[2-(thian-4-yl)-1,3-oxazol-4-yl]propan-1-amine
CID 115082248
[2-(oxan-3-yl)-1,3-oxazol-4-yl]methanamine
CID 82503935
2-[2-(thiolan-3-yl)-1,3-oxazol-4-yl]ethanol
CID 115082019
[2-(thian-4-yl)-1,3-oxazol-4-yl]methanol
CID 115082133
3-[2-(1-methylpiperidin-3-yl)-1,3-oxazol-4-yl]propan-1-amine
CID 115082709
2-(2-pyrrolidin-3-yl-1,3-oxazol-4-yl)ethanamine
CID 115082091
[2-(thian-3-yl)-1,3-oxazol-4-yl]methanol
CID 115082592
3-[2-(oxan-3-yl)-1,3-oxazol-4-yl]propanoic acid
CID 115034902

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-cyclobutyl-1,3-oxazol-4-yl)ethyl]cyclopropan-1-amine?
The IUPAC name of 1-[2-(2-cyclobutyl-1,3-oxazol-4-yl)ethyl]cyclopropan-1-amine (CID 105459498) is 1-[2-(2-cyclobutyl-1,3-oxazol-4-yl)ethyl]cyclopropan-1-amine.
What is the SMILES notation for 1-[2-(2-cyclobutyl-1,3-oxazol-4-yl)ethyl]cyclopropan-1-amine?
The canonical SMILES for 1-[2-(2-cyclobutyl-1,3-oxazol-4-yl)ethyl]cyclopropan-1-amine is NC1(CCc2coc(C3CCC3)n2)CC1.
What is the InChIKey of 1-[2-(2-cyclobutyl-1,3-oxazol-4-yl)ethyl]cyclopropan-1-amine?
The InChIKey is ZRKKLTNCZZEAEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O/c13-12(6-7-12)5-4-10-8-15-11(14-10)9-2-1-3-9/h8-9H,1-7,13H2.
What are the key properties of 1-[2-(2-cyclobutyl-1,3-oxazol-4-yl)ethyl]cyclopropan-1-amine?
1-[2-(2-cyclobutyl-1,3-oxazol-4-yl)ethyl]cyclopropan-1-amine has a molecular weight of 206.29 g/mol, XLogP of 2.37, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-cyclobutyl-1,3-oxazol-4-yl)ethyl]cyclopropan-1-amine is sourced from PubChem (CID 105459498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).