[5-(5-tert-butyl-2-methoxyphenyl)-1,2-oxazol-3-yl]methanol

C15H19NO3 — CID 82049731

IUPAC[5-(5-tert-butyl-2-methoxyphenyl)-1,2-oxazol-3-yl]methanol
SMILESCOc1ccc(C(C)(C)C)cc1-c1cc(CO)no1
InChIInChI=1S/C15H19NO3/c1-15(2,3)10-5-6-13(18-4)12(7-10)14-8-11(9-17)16-19-14/h5-8,17H,9H2,1-4H3
InChIKeyQNVVMRXBEPPRNT-UHFFFAOYSA-N
MW261.32 g/mol
LogP3.14
Rot. Bonds3

About [5-(5-tert-butyl-2-methoxyphenyl)-1,2-oxazol-3-yl]methanol

[5-(5-tert-butyl-2-methoxyphenyl)-1,2-oxazol-3-yl]methanol (PubChem CID 82049731) has the molecular formula C15H19NO3 and a molecular weight of 261.32 g/mol. Its IUPAC name is [5-(5-tert-butyl-2-methoxyphenyl)-1,2-oxazol-3-yl]methanol.

Molecular Properties

Compound Name[5-(5-tert-butyl-2-methoxyphenyl)-1,2-oxazol-3-yl]methanol
PubChem CID82049731
Molecular FormulaC15H19NO3
Molecular Weight261.32 g/mol
Exact Mass261.14
IUPAC Name[5-(5-tert-butyl-2-methoxyphenyl)-1,2-oxazol-3-yl]methanol
SMILESCOc1ccc(C(C)(C)C)cc1-c1cc(CO)no1
InChIInChI=1S/C15H19NO3/c1-15(2,3)10-5-6-13(18-4)12(7-10)14-8-11(9-17)16-19-14/h5-8,17H,9H2,1-4H3
InChIKeyQNVVMRXBEPPRNT-UHFFFAOYSA-N
XLogP3.14
TPSA55.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(5-tert-butyl-2-methoxyphenyl)-1,2-oxazole-3-carboxylic acid
CID 93189808
[5-(5-fluoro-2-methoxyphenyl)-1,2-oxazol-3-yl]methanamine
CID 82472973
[5-(5-bromo-2-methoxyphenyl)-1,2-oxazol-3-yl]methanethiol
CID 82160263
5-[2-methoxy-5-(trifluoromethyl)phenyl]-1,2-oxazole-3-carboxylic acid
CID 82631175
[3-(5-tert-butyl-2-methoxyphenyl)phenyl]methanol
CID 176513454
N-[[5-(2,5-dimethoxyphenyl)-1,2-oxazol-3-yl]methyl]-N-methylacetamide
CID 42823000
4-tert-butyl-N-[[5-(3,4-dimethoxyphenyl)-1,2-oxazol-3-yl]methyl]benzamide
CID 16867237
2-[5-(2-methoxy-5-propan-2-ylphenyl)-1,2-oxazol-3-yl]ethanamine
CID 96665567
4-(5-tert-butyl-2-methoxyphenyl)-1,2,5-oxadiazol-3-amine
CID 82118685
4-(5-tert-butyl-2-methoxyphenyl)-1,2-oxazol-5-amine
CID 82365983
4-bromo-2-(5-tert-butyl-2-methoxyphenyl)-1,3-thiazole
CID 116892178
4-(5-tert-butyl-2-methoxyphenyl)aniline
CID 83655480

Frequently Asked Questions

What is the IUPAC name of [5-(5-tert-butyl-2-methoxyphenyl)-1,2-oxazol-3-yl]methanol?
The IUPAC name of [5-(5-tert-butyl-2-methoxyphenyl)-1,2-oxazol-3-yl]methanol (CID 82049731) is [5-(5-tert-butyl-2-methoxyphenyl)-1,2-oxazol-3-yl]methanol.
What is the SMILES notation for [5-(5-tert-butyl-2-methoxyphenyl)-1,2-oxazol-3-yl]methanol?
The canonical SMILES for [5-(5-tert-butyl-2-methoxyphenyl)-1,2-oxazol-3-yl]methanol is COc1ccc(C(C)(C)C)cc1-c1cc(CO)no1.
What is the InChIKey of [5-(5-tert-butyl-2-methoxyphenyl)-1,2-oxazol-3-yl]methanol?
The InChIKey is QNVVMRXBEPPRNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO3/c1-15(2,3)10-5-6-13(18-4)12(7-10)14-8-11(9-17)16-19-14/h5-8,17H,9H2,1-4H3.
What are the key properties of [5-(5-tert-butyl-2-methoxyphenyl)-1,2-oxazol-3-yl]methanol?
[5-(5-tert-butyl-2-methoxyphenyl)-1,2-oxazol-3-yl]methanol has a molecular weight of 261.32 g/mol, XLogP of 3.14, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(5-tert-butyl-2-methoxyphenyl)-1,2-oxazol-3-yl]methanol is sourced from PubChem (CID 82049731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).