2-amino-1-cyclopropyl-2-(1,3-oxazol-4-yl)ethanol

C8H12N2O2 — CID 82413305

IUPAC2-amino-1-cyclopropyl-2-(1,3-oxazol-4-yl)ethanol
SMILESNC(c1cocn1)C(O)C1CC1
InChIInChI=1S/C8H12N2O2/c9-7(6-3-12-4-10-6)8(11)5-1-2-5/h3-5,7-8,11H,1-2,9H2
InChIKeyFXIFYBWKUFGALW-UHFFFAOYSA-N
MW168.20 g/mol
LogP0.45
Rot. Bonds3

About 2-amino-1-cyclopropyl-2-(1,3-oxazol-4-yl)ethanol

2-amino-1-cyclopropyl-2-(1,3-oxazol-4-yl)ethanol (PubChem CID 82413305) has the molecular formula C8H12N2O2 and a molecular weight of 168.20 g/mol. Its IUPAC name is 2-amino-1-cyclopropyl-2-(1,3-oxazol-4-yl)ethanol.

Molecular Properties

Compound Name2-amino-1-cyclopropyl-2-(1,3-oxazol-4-yl)ethanol
PubChem CID82413305
Molecular FormulaC8H12N2O2
Molecular Weight168.20 g/mol
Exact Mass168.09
IUPAC Name2-amino-1-cyclopropyl-2-(1,3-oxazol-4-yl)ethanol
SMILESNC(c1cocn1)C(O)C1CC1
InChIInChI=1S/C8H12N2O2/c9-7(6-3-12-4-10-6)8(11)5-1-2-5/h3-5,7-8,11H,1-2,9H2
InChIKeyFXIFYBWKUFGALW-UHFFFAOYSA-N
XLogP0.45
TPSA72.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.20
LogP ≤ 50.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-1-cyclopropyl-2-pyridin-2-ylethanol
CID 82409953
3-[amino(1,3-oxazol-4-yl)methyl]pyrrolidin-3-ol
CID 82407214
2-amino-1-cyclopropyl-2-phenylethanol
CID 62720038
5-[(1S,2R)-1-amino-2-cyclopropyl-2-hydroxyethyl]benzene-1,3-diol
CID 171266816
(1S,2R)-2-amino-2-(4-chlorophenyl)-1-cyclopropylethanol
CID 130803068
(1S,2R)-2-amino-1-cyclopropyl-2-(4-iodophenyl)ethanol;hydrochloride
CID 171261933
2-[(1S,2R)-1-amino-2-cyclopropyl-2-hydroxyethyl]-4,6-diiodophenol
CID 171271640
(1S,2R)-2-amino-1-cyclopropyl-2-(2,3,4,5,6-pentafluorophenyl)ethanol;hydrochloride
CID 171160472
(1R,2S)-2-amino-1-cyclopropyl-2-(3,4,5-trifluorophenyl)ethanol;hydrochloride
CID 171161607
(1S,2R)-2-amino-1-cyclopropyl-2-(2,2-difluoro-1,3-benzodioxol-4-yl)ethanol
CID 171263422
(1S,2R)-2-amino-1-cyclopropyl-2-(2,4-difluorophenyl)ethanol
CID 171160265
3-[(1R,2S)-1-amino-2-cyclopropyl-2-hydroxyethyl]phenol;hydrochloride
CID 171160686

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-cyclopropyl-2-(1,3-oxazol-4-yl)ethanol?
The IUPAC name of 2-amino-1-cyclopropyl-2-(1,3-oxazol-4-yl)ethanol (CID 82413305) is 2-amino-1-cyclopropyl-2-(1,3-oxazol-4-yl)ethanol.
What is the SMILES notation for 2-amino-1-cyclopropyl-2-(1,3-oxazol-4-yl)ethanol?
The canonical SMILES for 2-amino-1-cyclopropyl-2-(1,3-oxazol-4-yl)ethanol is NC(c1cocn1)C(O)C1CC1.
What is the InChIKey of 2-amino-1-cyclopropyl-2-(1,3-oxazol-4-yl)ethanol?
The InChIKey is FXIFYBWKUFGALW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O2/c9-7(6-3-12-4-10-6)8(11)5-1-2-5/h3-5,7-8,11H,1-2,9H2.
What are the key properties of 2-amino-1-cyclopropyl-2-(1,3-oxazol-4-yl)ethanol?
2-amino-1-cyclopropyl-2-(1,3-oxazol-4-yl)ethanol has a molecular weight of 168.20 g/mol, XLogP of 0.45, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-cyclopropyl-2-(1,3-oxazol-4-yl)ethanol is sourced from PubChem (CID 82413305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).