5-tert-butyl-2-[(1R)-1-[(2R)-1-methoxypropan-2-yl]sulfanylethyl]-1,3-oxazole

C13H23NO2S — CID 97031144

IUPAC5-tert-butyl-2-[(1R)-1-[(2R)-1-methoxypropan-2-yl]sulfanylethyl]-1,3-oxazole
SMILESCOC[C@@H](C)S[C@H](C)c1ncc(C(C)(C)C)o1
InChIInChI=1S/C13H23NO2S/c1-9(8-15-6)17-10(2)12-14-7-11(16-12)13(3,4)5/h7,9-10H,8H2,1-6H3/t9-,10-/m1/s1
InChIKeyNRDRGRZXSBORDW-NXEZZACHSA-N
MW257.40 g/mol
LogP3.80
Rot. Bonds5

About 5-tert-butyl-2-[(1R)-1-[(2R)-1-methoxypropan-2-yl]sulfanylethyl]-1,3-oxazole

5-tert-butyl-2-[(1R)-1-[(2R)-1-methoxypropan-2-yl]sulfanylethyl]-1,3-oxazole (PubChem CID 97031144) has the molecular formula C13H23NO2S and a molecular weight of 257.40 g/mol. Its IUPAC name is 5-tert-butyl-2-[(1R)-1-[(2R)-1-methoxypropan-2-yl]sulfanylethyl]-1,3-oxazole.

Molecular Properties

Compound Name5-tert-butyl-2-[(1R)-1-[(2R)-1-methoxypropan-2-yl]sulfanylethyl]-1,3-oxazole
PubChem CID97031144
Molecular FormulaC13H23NO2S
Molecular Weight257.40 g/mol
Exact Mass257.14
IUPAC Name5-tert-butyl-2-[(1R)-1-[(2R)-1-methoxypropan-2-yl]sulfanylethyl]-1,3-oxazole
SMILESCOC[C@@H](C)S[C@H](C)c1ncc(C(C)(C)C)o1
InChIInChI=1S/C13H23NO2S/c1-9(8-15-6)17-10(2)12-14-7-11(16-12)13(3,4)5/h7,9-10H,8H2,1-6H3/t9-,10-/m1/s1
InChIKeyNRDRGRZXSBORDW-NXEZZACHSA-N
XLogP3.80
TPSA35.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.40
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 5-tert-butyl-2-[(1R)-1-[(2R)-1-methoxypropan-2-yl]sulfanylethyl]-1,3-oxazole with MolForge

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Related Compounds

5-tert-butyl-2-propan-2-yl-1,3-oxazole
CID 23571128
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[5-[(1S)-1-(5-tert-butyl-1,3-oxazol-2-yl)ethyl]sulfanyl-4-methyl-1,2,4-triazol-3-yl]methanol
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CID 120991562
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N-[1-(5-tert-butyl-1,3-oxazol-2-yl)ethyl]-1-propylpyrazol-4-amine
CID 86791923
5-tert-butyl-3-[1-(5-tert-butyl-1,3-oxazol-2-yl)ethyl]-1,3,4-oxadiazol-2-one
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2-methoxy-1-(5-methyl-1,3-oxazol-2-yl)ethanamine
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Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-2-[(1R)-1-[(2R)-1-methoxypropan-2-yl]sulfanylethyl]-1,3-oxazole?
The IUPAC name of 5-tert-butyl-2-[(1R)-1-[(2R)-1-methoxypropan-2-yl]sulfanylethyl]-1,3-oxazole (CID 97031144) is 5-tert-butyl-2-[(1R)-1-[(2R)-1-methoxypropan-2-yl]sulfanylethyl]-1,3-oxazole.
What is the SMILES notation for 5-tert-butyl-2-[(1R)-1-[(2R)-1-methoxypropan-2-yl]sulfanylethyl]-1,3-oxazole?
The canonical SMILES for 5-tert-butyl-2-[(1R)-1-[(2R)-1-methoxypropan-2-yl]sulfanylethyl]-1,3-oxazole is COC[C@@H](C)S[C@H](C)c1ncc(C(C)(C)C)o1.
What is the InChIKey of 5-tert-butyl-2-[(1R)-1-[(2R)-1-methoxypropan-2-yl]sulfanylethyl]-1,3-oxazole?
The InChIKey is NRDRGRZXSBORDW-NXEZZACHSA-N. The full InChI is InChI=1S/C13H23NO2S/c1-9(8-15-6)17-10(2)12-14-7-11(16-12)13(3,4)5/h7,9-10H,8H2,1-6H3/t9-,10-/m1/s1.
What are the key properties of 5-tert-butyl-2-[(1R)-1-[(2R)-1-methoxypropan-2-yl]sulfanylethyl]-1,3-oxazole?
5-tert-butyl-2-[(1R)-1-[(2R)-1-methoxypropan-2-yl]sulfanylethyl]-1,3-oxazole has a molecular weight of 257.40 g/mol, XLogP of 3.80, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-2-[(1R)-1-[(2R)-1-methoxypropan-2-yl]sulfanylethyl]-1,3-oxazole is sourced from PubChem (CID 97031144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).