[(1S,2S)-2-(2-methyl-1,3-oxazol-4-yl)cyclopropyl]methanol

C8H11NO2 — CID 89417312

IUPAC[(1S,2S)-2-(2-methyl-1,3-oxazol-4-yl)cyclopropyl]methanol
SMILESCc1nc([C@H]2C[C@@H]2CO)co1
InChIInChI=1S/C8H11NO2/c1-5-9-8(4-11-5)7-2-6(7)3-10/h4,6-7,10H,2-3H2,1H3/t6-,7+/m1/s1
InChIKeyVSDFCOWIYJCTGV-RQJHMYQMSA-N
MW153.18 g/mol
LogP1.08
Rot. Bonds2

About [(1S,2S)-2-(2-methyl-1,3-oxazol-4-yl)cyclopropyl]methanol

[(1S,2S)-2-(2-methyl-1,3-oxazol-4-yl)cyclopropyl]methanol (PubChem CID 89417312) has the molecular formula C8H11NO2 and a molecular weight of 153.18 g/mol. Its IUPAC name is [(1S,2S)-2-(2-methyl-1,3-oxazol-4-yl)cyclopropyl]methanol.

Molecular Properties

Compound Name[(1S,2S)-2-(2-methyl-1,3-oxazol-4-yl)cyclopropyl]methanol
PubChem CID89417312
Molecular FormulaC8H11NO2
Molecular Weight153.18 g/mol
Exact Mass153.08
IUPAC Name[(1S,2S)-2-(2-methyl-1,3-oxazol-4-yl)cyclopropyl]methanol
SMILESCc1nc([C@H]2C[C@@H]2CO)co1
InChIInChI=1S/C8H11NO2/c1-5-9-8(4-11-5)7-2-6(7)3-10/h4,6-7,10H,2-3H2,1H3/t6-,7+/m1/s1
InChIKeyVSDFCOWIYJCTGV-RQJHMYQMSA-N
XLogP1.08
TPSA46.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.18
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [(1S,2S)-2-(2-methyl-1,3-oxazol-4-yl)cyclopropyl]methanol?
The IUPAC name of [(1S,2S)-2-(2-methyl-1,3-oxazol-4-yl)cyclopropyl]methanol (CID 89417312) is [(1S,2S)-2-(2-methyl-1,3-oxazol-4-yl)cyclopropyl]methanol.
What is the SMILES notation for [(1S,2S)-2-(2-methyl-1,3-oxazol-4-yl)cyclopropyl]methanol?
The canonical SMILES for [(1S,2S)-2-(2-methyl-1,3-oxazol-4-yl)cyclopropyl]methanol is Cc1nc([C@H]2C[C@@H]2CO)co1.
What is the InChIKey of [(1S,2S)-2-(2-methyl-1,3-oxazol-4-yl)cyclopropyl]methanol?
The InChIKey is VSDFCOWIYJCTGV-RQJHMYQMSA-N. The full InChI is InChI=1S/C8H11NO2/c1-5-9-8(4-11-5)7-2-6(7)3-10/h4,6-7,10H,2-3H2,1H3/t6-,7+/m1/s1.
What are the key properties of [(1S,2S)-2-(2-methyl-1,3-oxazol-4-yl)cyclopropyl]methanol?
[(1S,2S)-2-(2-methyl-1,3-oxazol-4-yl)cyclopropyl]methanol has a molecular weight of 153.18 g/mol, XLogP of 1.08, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,2S)-2-(2-methyl-1,3-oxazol-4-yl)cyclopropyl]methanol is sourced from PubChem (CID 89417312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).