[(5S)-3-ethyl-5-propan-2-yl-4H-1,2-oxazol-5-yl]methanol

C9H17NO2 — CID 134966928

IUPAC[(5S)-3-ethyl-5-propan-2-yl-4H-1,2-oxazol-5-yl]methanol
SMILESCCC1=NO[C@](CO)(C(C)C)C1
InChIInChI=1S/C9H17NO2/c1-4-8-5-9(6-11,7(2)3)12-10-8/h7,11H,4-6H2,1-3H3/t9-/m1/s1
InChIKeyBAWMIZCVNVQOTA-SECBINFHSA-N
MW171.24 g/mol
LogP1.56
Rot. Bonds3

About [(5S)-3-ethyl-5-propan-2-yl-4H-1,2-oxazol-5-yl]methanol

[(5S)-3-ethyl-5-propan-2-yl-4H-1,2-oxazol-5-yl]methanol (PubChem CID 134966928) has the molecular formula C9H17NO2 and a molecular weight of 171.24 g/mol. Its IUPAC name is [(5S)-3-ethyl-5-propan-2-yl-4H-1,2-oxazol-5-yl]methanol.

Molecular Properties

Compound Name[(5S)-3-ethyl-5-propan-2-yl-4H-1,2-oxazol-5-yl]methanol
PubChem CID134966928
Molecular FormulaC9H17NO2
Molecular Weight171.24 g/mol
Exact Mass171.13
IUPAC Name[(5S)-3-ethyl-5-propan-2-yl-4H-1,2-oxazol-5-yl]methanol
SMILESCCC1=NO[C@](CO)(C(C)C)C1
InChIInChI=1S/C9H17NO2/c1-4-8-5-9(6-11,7(2)3)12-10-8/h7,11H,4-6H2,1-3H3/t9-/m1/s1
InChIKeyBAWMIZCVNVQOTA-SECBINFHSA-N
XLogP1.56
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[(5R)-3-ethyl-5-methyl-4H-1,2-oxazol-5-yl]methanol
CID 122400074
(5-methyl-3-propyl-4H-1,2-oxazol-5-yl)methanol
CID 22121110
(3,5-ditert-butyl-4H-1,2-oxazol-5-yl)methanol
CID 58735358
[3-(2-Methylpropyl)-4,5-dihydro-1,2-oxazol-5-yl]methanol
CID 58871535
(3R,4R,5S)-6-methoxyimino-2,2,3,5,7,7-hexamethyloctane-3,4-diol
CID 89967835
(3R,4S)-5-methoxyimino-2,4-dimethylheptane-2,3-diol
CID 89970056
(1R)-1-[3-(2-methylpropyl)-4,5-dihydro-1,2-oxazol-5-yl]ethanol
CID 11263761
(1R)-1-[(4R,5R)-3,4-diethyl-4,5-dihydro-1,2-oxazol-5-yl]ethanol
CID 11309793
4,4a,5,6,7,8,9,10,11,12,13,14-dodecahydro-3H-cyclododeca[c]oxazin-3-ylmethanol
CID 11425301
(1R)-1-[(5R)-3-propan-2-yl-4,5-dihydro-1,2-oxazol-5-yl]ethanol
CID 12070950
(1R)-1-[(5R)-3-(2-methylpropyl)-4,5-dihydro-1,2-oxazol-5-yl]ethanol
CID 12070952
[(4S,5S)-3-tert-butyl-4-methyl-4,5-dihydro-1,2-oxazol-5-yl]methanol
CID 25212637

Frequently Asked Questions

What is the IUPAC name of [(5S)-3-ethyl-5-propan-2-yl-4H-1,2-oxazol-5-yl]methanol?
The IUPAC name of [(5S)-3-ethyl-5-propan-2-yl-4H-1,2-oxazol-5-yl]methanol (CID 134966928) is [(5S)-3-ethyl-5-propan-2-yl-4H-1,2-oxazol-5-yl]methanol.
What is the SMILES notation for [(5S)-3-ethyl-5-propan-2-yl-4H-1,2-oxazol-5-yl]methanol?
The canonical SMILES for [(5S)-3-ethyl-5-propan-2-yl-4H-1,2-oxazol-5-yl]methanol is CCC1=NO[C@](CO)(C(C)C)C1.
What is the InChIKey of [(5S)-3-ethyl-5-propan-2-yl-4H-1,2-oxazol-5-yl]methanol?
The InChIKey is BAWMIZCVNVQOTA-SECBINFHSA-N. The full InChI is InChI=1S/C9H17NO2/c1-4-8-5-9(6-11,7(2)3)12-10-8/h7,11H,4-6H2,1-3H3/t9-/m1/s1.
What are the key properties of [(5S)-3-ethyl-5-propan-2-yl-4H-1,2-oxazol-5-yl]methanol?
[(5S)-3-ethyl-5-propan-2-yl-4H-1,2-oxazol-5-yl]methanol has a molecular weight of 171.24 g/mol, XLogP of 1.56, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(5S)-3-ethyl-5-propan-2-yl-4H-1,2-oxazol-5-yl]methanol is sourced from PubChem (CID 134966928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).