1-[3-[(2S)-3-methylbutan-2-yl]-1,2-oxazol-5-yl]ethanol

C10H17NO2 — CID 122577397

IUPAC1-[3-[(2S)-3-methylbutan-2-yl]-1,2-oxazol-5-yl]ethanol
SMILESCC(O)c1cc([C@@H](C)C(C)C)no1
InChIInChI=1S/C10H17NO2/c1-6(2)7(3)9-5-10(8(4)12)13-11-9/h5-8,12H,1-4H3/t7-,8?/m0/s1
InChIKeyJTJWXSYMFNDXHN-JAMMHHFISA-N
MW183.25 g/mol
LogP2.49
Rot. Bonds3

About 1-[3-[(2S)-3-methylbutan-2-yl]-1,2-oxazol-5-yl]ethanol

1-[3-[(2S)-3-methylbutan-2-yl]-1,2-oxazol-5-yl]ethanol (PubChem CID 122577397) has the molecular formula C10H17NO2 and a molecular weight of 183.25 g/mol. Its IUPAC name is 1-[3-[(2S)-3-methylbutan-2-yl]-1,2-oxazol-5-yl]ethanol.

Molecular Properties

Compound Name1-[3-[(2S)-3-methylbutan-2-yl]-1,2-oxazol-5-yl]ethanol
PubChem CID122577397
Molecular FormulaC10H17NO2
Molecular Weight183.25 g/mol
Exact Mass183.13
IUPAC Name1-[3-[(2S)-3-methylbutan-2-yl]-1,2-oxazol-5-yl]ethanol
SMILESCC(O)c1cc([C@@H](C)C(C)C)no1
InChIInChI=1S/C10H17NO2/c1-6(2)7(3)9-5-10(8(4)12)13-11-9/h5-8,12H,1-4H3/t7-,8?/m0/s1
InChIKeyJTJWXSYMFNDXHN-JAMMHHFISA-N
XLogP2.49
TPSA46.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[3-[(2S)-3-methylbutan-2-yl]-1,2-oxazol-5-yl]ethanol?
The IUPAC name of 1-[3-[(2S)-3-methylbutan-2-yl]-1,2-oxazol-5-yl]ethanol (CID 122577397) is 1-[3-[(2S)-3-methylbutan-2-yl]-1,2-oxazol-5-yl]ethanol.
What is the SMILES notation for 1-[3-[(2S)-3-methylbutan-2-yl]-1,2-oxazol-5-yl]ethanol?
The canonical SMILES for 1-[3-[(2S)-3-methylbutan-2-yl]-1,2-oxazol-5-yl]ethanol is CC(O)c1cc([C@@H](C)C(C)C)no1.
What is the InChIKey of 1-[3-[(2S)-3-methylbutan-2-yl]-1,2-oxazol-5-yl]ethanol?
The InChIKey is JTJWXSYMFNDXHN-JAMMHHFISA-N. The full InChI is InChI=1S/C10H17NO2/c1-6(2)7(3)9-5-10(8(4)12)13-11-9/h5-8,12H,1-4H3/t7-,8?/m0/s1.
What are the key properties of 1-[3-[(2S)-3-methylbutan-2-yl]-1,2-oxazol-5-yl]ethanol?
1-[3-[(2S)-3-methylbutan-2-yl]-1,2-oxazol-5-yl]ethanol has a molecular weight of 183.25 g/mol, XLogP of 2.49, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(2S)-3-methylbutan-2-yl]-1,2-oxazol-5-yl]ethanol is sourced from PubChem (CID 122577397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).