(3-tert-butyl-5-methyl-4H-1,2-oxazol-5-yl)methanol

C9H17NO2 — CID 10997486

IUPAC(3-tert-butyl-5-methyl-4H-1,2-oxazol-5-yl)methanol
SMILESCC1(CO)CC(C(C)(C)C)=NO1
InChIInChI=1S/C9H17NO2/c1-8(2,3)7-5-9(4,6-11)12-10-7/h11H,5-6H2,1-4H3
InChIKeyVIRHDENOBUSWCE-UHFFFAOYSA-N
MW171.24 g/mol
LogP1.56
Rot. Bonds1

About (3-tert-butyl-5-methyl-4H-1,2-oxazol-5-yl)methanol

(3-tert-butyl-5-methyl-4H-1,2-oxazol-5-yl)methanol (PubChem CID 10997486) has the molecular formula C9H17NO2 and a molecular weight of 171.24 g/mol. Its IUPAC name is (3-tert-butyl-5-methyl-4H-1,2-oxazol-5-yl)methanol.

Molecular Properties

Compound Name(3-tert-butyl-5-methyl-4H-1,2-oxazol-5-yl)methanol
PubChem CID10997486
Molecular FormulaC9H17NO2
Molecular Weight171.24 g/mol
Exact Mass171.13
IUPAC Name(3-tert-butyl-5-methyl-4H-1,2-oxazol-5-yl)methanol
SMILESCC1(CO)CC(C(C)(C)C)=NO1
InChIInChI=1S/C9H17NO2/c1-8(2,3)7-5-9(4,6-11)12-10-7/h11H,5-6H2,1-4H3
InChIKeyVIRHDENOBUSWCE-UHFFFAOYSA-N
XLogP1.56
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
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

(3-Tert-butyl-4,5-dihydro-1,2-oxazol-5-YL)methanol
CID 13801521
[(5R)-3-ethyl-5-methyl-4H-1,2-oxazol-5-yl]methanol
CID 122400074
(4R,5S)-5-butyl-3-tert-butyl-4,5-dihydro-1,2-oxazol-4-ol
CID 146018742
[(5R)-3-tert-butyl-4,5-dihydro-1,2-oxazol-5-yl]methanol
CID 10997298
(5-tert-Butyl-4,5-dihydro-1,2-oxazol-3-yl)methanol
CID 13722788
[(5S)-3-tert-butyl-4,5-dihydro-1,2-oxazol-5-yl]methanol
CID 13801522
3-(1,1-Dimethylethyl)-5,6-dihydro-6-methyl-4H-1,2-oxazine-6-methanol
CID 15335307
(5-methyl-3-propyl-4H-1,2-oxazol-5-yl)methanol
CID 22121110
(3,5-dimethyl-4H-1,2-oxazol-5-yl)methanol
CID 22121131
[(5R)-3-propan-2-yl-4,5-dihydro-1,2-oxazol-5-yl]methanol
CID 44141775
[(5S)-3-propan-2-yl-4,5-dihydro-1,2-oxazol-5-yl]methanol
CID 44141776
(3,5-ditert-butyl-4H-1,2-oxazol-5-yl)methanol
CID 58735358

Frequently Asked Questions

What is the IUPAC name of (3-tert-butyl-5-methyl-4H-1,2-oxazol-5-yl)methanol?
The IUPAC name of (3-tert-butyl-5-methyl-4H-1,2-oxazol-5-yl)methanol (CID 10997486) is (3-tert-butyl-5-methyl-4H-1,2-oxazol-5-yl)methanol.
What is the SMILES notation for (3-tert-butyl-5-methyl-4H-1,2-oxazol-5-yl)methanol?
The canonical SMILES for (3-tert-butyl-5-methyl-4H-1,2-oxazol-5-yl)methanol is CC1(CO)CC(C(C)(C)C)=NO1.
What is the InChIKey of (3-tert-butyl-5-methyl-4H-1,2-oxazol-5-yl)methanol?
The InChIKey is VIRHDENOBUSWCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO2/c1-8(2,3)7-5-9(4,6-11)12-10-7/h11H,5-6H2,1-4H3.
What are the key properties of (3-tert-butyl-5-methyl-4H-1,2-oxazol-5-yl)methanol?
(3-tert-butyl-5-methyl-4H-1,2-oxazol-5-yl)methanol has a molecular weight of 171.24 g/mol, XLogP of 1.56, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-tert-butyl-5-methyl-4H-1,2-oxazol-5-yl)methanol is sourced from PubChem (CID 10997486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).