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

C8H13NO2 — CID 112756401

IUPAC(2-tert-butyl-1,3-oxazol-4-yl)methanol
SMILESCC(C)(C)c1nc(CO)co1
InChIInChI=1S/C8H13NO2/c1-8(2,3)7-9-6(4-10)5-11-7/h5,10H,4H2,1-3H3
InChIKeyNRSRWJQSRGZPSD-UHFFFAOYSA-N
MW155.20 g/mol
LogP1.46
Rot. Bonds1

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

(2-tert-butyl-1,3-oxazol-4-yl)methanol (PubChem CID 112756401) has the molecular formula C8H13NO2 and a molecular weight of 155.20 g/mol. Its IUPAC name is (2-tert-butyl-1,3-oxazol-4-yl)methanol.

Molecular Properties

Compound Name(2-tert-butyl-1,3-oxazol-4-yl)methanol
PubChem CID112756401
Molecular FormulaC8H13NO2
Molecular Weight155.20 g/mol
Exact Mass155.09
IUPAC Name(2-tert-butyl-1,3-oxazol-4-yl)methanol
SMILESCC(C)(C)c1nc(CO)co1
InChIInChI=1S/C8H13NO2/c1-8(2,3)7-9-6(4-10)5-11-7/h5,10H,4H2,1-3H3
InChIKeyNRSRWJQSRGZPSD-UHFFFAOYSA-N
XLogP1.46
TPSA46.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.20
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2-Methyl-1,3-oxazol-4-yl)methanol
CID 5324810
2-Ethyl-1,3-oxazole-4-carboxylic acid
CID 21284955
2-Propyl-1,3-oxazole-4-carboxylic acid
CID 53403815
2-(Propan-2-yl)-1,3-oxazole-4-carboxylic acid
CID 14964878
2-tert-Butyl-1,3-oxazole-4-carboxylic acid
CID 19786349
(2-Bromo-1,3-oxazol-4-yl)methanol
CID 37818706
(2-Cyclopropyl-1,3-oxazol-4-yl)methanol
CID 53399651
2-(2-Ethoxyethyl)-1,3-oxazole-4-carboxylic acid
CID 62589755
[2-[[Tert-butyl(dimethyl)silyl]oxymethyl]-1,3-oxazol-4-yl]methanol
CID 66929323
(2-(1,1-Difluoroethyl)oxazol-4-yl)methanol
CID 67127967
2-(1-Fluoroethyl)-1,3-oxazole-4-carboxylic acid
CID 90389428
[2-(Fluoromethyl)-1,3-oxazol-4-yl]methanol
CID 122423770

Frequently Asked Questions

What is the IUPAC name of (2-tert-butyl-1,3-oxazol-4-yl)methanol?
The IUPAC name of (2-tert-butyl-1,3-oxazol-4-yl)methanol (CID 112756401) is (2-tert-butyl-1,3-oxazol-4-yl)methanol.
What is the SMILES notation for (2-tert-butyl-1,3-oxazol-4-yl)methanol?
The canonical SMILES for (2-tert-butyl-1,3-oxazol-4-yl)methanol is CC(C)(C)c1nc(CO)co1.
What is the InChIKey of (2-tert-butyl-1,3-oxazol-4-yl)methanol?
The InChIKey is NRSRWJQSRGZPSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO2/c1-8(2,3)7-9-6(4-10)5-11-7/h5,10H,4H2,1-3H3.
What are the key properties of (2-tert-butyl-1,3-oxazol-4-yl)methanol?
(2-tert-butyl-1,3-oxazol-4-yl)methanol has a molecular weight of 155.20 g/mol, XLogP of 1.46, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-tert-butyl-1,3-oxazol-4-yl)methanol is sourced from PubChem (CID 112756401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).