[2-[1-(5-tert-butyl-1,3-oxazol-2-yl)ethylsulfonyl]-3-methylimidazol-4-yl]methanol

C14H21N3O4S — CID 75497616

IUPAC[2-[1-(5-tert-butyl-1,3-oxazol-2-yl)ethylsulfonyl]-3-methylimidazol-4-yl]methanol
SMILESCC(c1ncc(C(C)(C)C)o1)S(=O)(=O)c1ncc(CO)n1C
InChIInChI=1S/C14H21N3O4S/c1-9(12-15-7-11(21-12)14(2,3)4)22(19,20)13-16-6-10(8-18)17(13)5/h6-7,9,18H,8H2,1-5H3
InChIKeyLTYKVMHNLLIIAE-UHFFFAOYSA-N
MW327.41 g/mol
LogP1.73
Rot. Bonds4

About [2-[1-(5-tert-butyl-1,3-oxazol-2-yl)ethylsulfonyl]-3-methylimidazol-4-yl]methanol

[2-[1-(5-tert-butyl-1,3-oxazol-2-yl)ethylsulfonyl]-3-methylimidazol-4-yl]methanol (PubChem CID 75497616) has the molecular formula C14H21N3O4S and a molecular weight of 327.41 g/mol. Its IUPAC name is [2-[1-(5-tert-butyl-1,3-oxazol-2-yl)ethylsulfonyl]-3-methylimidazol-4-yl]methanol.

Molecular Properties

Compound Name[2-[1-(5-tert-butyl-1,3-oxazol-2-yl)ethylsulfonyl]-3-methylimidazol-4-yl]methanol
PubChem CID75497616
Molecular FormulaC14H21N3O4S
Molecular Weight327.41 g/mol
Exact Mass327.13
IUPAC Name[2-[1-(5-tert-butyl-1,3-oxazol-2-yl)ethylsulfonyl]-3-methylimidazol-4-yl]methanol
SMILESCC(c1ncc(C(C)(C)C)o1)S(=O)(=O)c1ncc(CO)n1C
InChIInChI=1S/C14H21N3O4S/c1-9(12-15-7-11(21-12)14(2,3)4)22(19,20)13-16-6-10(8-18)17(13)5/h6-7,9,18H,8H2,1-5H3
InChIKeyLTYKVMHNLLIIAE-UHFFFAOYSA-N
XLogP1.73
TPSA98.22 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.41
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

5-tert-butyl-2-[1-(2-fluorophenyl)sulfonylethyl]-1,3-oxazole
CID 126787212
[5-[(1S)-1-(5-tert-butyl-1,3-oxazol-2-yl)ethyl]sulfanyl-4-methyl-1,2,4-triazol-3-yl]methanol
CID 97089688
5-tert-butyl-2-propan-2-yl-1,3-oxazole
CID 23571128
5-tert-butyl-2-[(1R)-1-chloroethyl]-1,3-oxazole
CID 93105065
[3-methyl-2-(oxolan-2-ylmethylsulfonyl)imidazol-4-yl]methanol
CID 154739923
[2-[(6-ethoxy-2-pyridinyl)methylsulfonyl]-3-methylimidazol-4-yl]methanol
CID 86787993
5-tert-butyl-3-[1-(5-tert-butyl-1,3-oxazol-2-yl)ethyl]-1,3,4-oxadiazol-2-one
CID 71851327
1-(5-tert-butyl-1,3-oxazol-2-yl)-N-[(1-ethylpyrazol-4-yl)methyl]-N-methylethanamine
CID 71981103
(2-amino-3-methylimidazol-4-yl)methanol
CID 53411272
(2-chloro-3-methylimidazol-4-yl)methanol
CID 59589424
5-(hydroxymethyl)-1-methylimidazole-2-carboxylic acid
CID 117192886
1-[1-(5-tert-butyl-1,3-oxazol-2-yl)ethyl]pyrrolidine-3-carboxylic acid
CID 119904496

Frequently Asked Questions

What is the IUPAC name of [2-[1-(5-tert-butyl-1,3-oxazol-2-yl)ethylsulfonyl]-3-methylimidazol-4-yl]methanol?
The IUPAC name of [2-[1-(5-tert-butyl-1,3-oxazol-2-yl)ethylsulfonyl]-3-methylimidazol-4-yl]methanol (CID 75497616) is [2-[1-(5-tert-butyl-1,3-oxazol-2-yl)ethylsulfonyl]-3-methylimidazol-4-yl]methanol.
What is the SMILES notation for [2-[1-(5-tert-butyl-1,3-oxazol-2-yl)ethylsulfonyl]-3-methylimidazol-4-yl]methanol?
The canonical SMILES for [2-[1-(5-tert-butyl-1,3-oxazol-2-yl)ethylsulfonyl]-3-methylimidazol-4-yl]methanol is CC(c1ncc(C(C)(C)C)o1)S(=O)(=O)c1ncc(CO)n1C.
What is the InChIKey of [2-[1-(5-tert-butyl-1,3-oxazol-2-yl)ethylsulfonyl]-3-methylimidazol-4-yl]methanol?
The InChIKey is LTYKVMHNLLIIAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O4S/c1-9(12-15-7-11(21-12)14(2,3)4)22(19,20)13-16-6-10(8-18)17(13)5/h6-7,9,18H,8H2,1-5H3.
What are the key properties of [2-[1-(5-tert-butyl-1,3-oxazol-2-yl)ethylsulfonyl]-3-methylimidazol-4-yl]methanol?
[2-[1-(5-tert-butyl-1,3-oxazol-2-yl)ethylsulfonyl]-3-methylimidazol-4-yl]methanol has a molecular weight of 327.41 g/mol, XLogP of 1.73, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[1-(5-tert-butyl-1,3-oxazol-2-yl)ethylsulfonyl]-3-methylimidazol-4-yl]methanol is sourced from PubChem (CID 75497616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).