5-tert-butyl-2-(3-methoxypropylsulfanyl)-1,3-oxazole

C11H19NO2S — CID 71917669

IUPAC5-tert-butyl-2-(3-methoxypropylsulfanyl)-1,3-oxazole
SMILESCOCCCSc1ncc(C(C)(C)C)o1
InChIInChI=1S/C11H19NO2S/c1-11(2,3)9-8-12-10(14-9)15-7-5-6-13-4/h8H,5-7H2,1-4H3
InChIKeyQEPRRVDCYPVHJY-UHFFFAOYSA-N
MW229.34 g/mol
LogP3.10
Rot. Bonds5

About 5-tert-butyl-2-(3-methoxypropylsulfanyl)-1,3-oxazole

5-tert-butyl-2-(3-methoxypropylsulfanyl)-1,3-oxazole (PubChem CID 71917669) has the molecular formula C11H19NO2S and a molecular weight of 229.34 g/mol. Its IUPAC name is 5-tert-butyl-2-(3-methoxypropylsulfanyl)-1,3-oxazole.

Molecular Properties

Compound Name5-tert-butyl-2-(3-methoxypropylsulfanyl)-1,3-oxazole
PubChem CID71917669
Molecular FormulaC11H19NO2S
Molecular Weight229.34 g/mol
Exact Mass229.11
IUPAC Name5-tert-butyl-2-(3-methoxypropylsulfanyl)-1,3-oxazole
SMILESCOCCCSc1ncc(C(C)(C)C)o1
InChIInChI=1S/C11H19NO2S/c1-11(2,3)9-8-12-10(14-9)15-7-5-6-13-4/h8H,5-7H2,1-4H3
InChIKeyQEPRRVDCYPVHJY-UHFFFAOYSA-N
XLogP3.10
TPSA35.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.34
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-bromo-2-(3-methoxypropylsulfanyl)pyrimidine
CID 63867246
N-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-2-methoxyethanamine
CID 60765583
2-tert-butyl-6-(3-methoxypropylsulfanyl)-N-methylpyrimidin-4-amine
CID 80964211
5-tert-butyl-2-[(1R)-1-[(2R)-1-methoxypropan-2-yl]sulfanylethyl]-1,3-oxazole
CID 97031144
[5-(3-methoxypropylsulfanyl)-2-pyridinyl]methanamine
CID 115490313
1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl-methylamino]-3-methoxypropan-2-ol
CID 62015365
5-tert-butyl-2-[[1-(difluoromethyl)imidazol-2-yl]methylsulfanyl]-1,3-oxazole
CID 75381265
[2-(3-methoxypropylsulfanyl)-3-methylimidazol-4-yl]methanol
CID 66149420
2-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-1-ethyl-3-[3-(2-methoxyethoxy)propyl]guanidine
CID 111593778
4-tert-butyl-5-chloro-1-(3-methoxypropyl)pyrazole
CID 118371019
3-(3-methoxypropylsulfanyl)pyrazine-2-carbonitrile
CID 63857563
4-(3-methoxypropylsulfanyl)pyrimidin-2-amine
CID 80890158

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-2-(3-methoxypropylsulfanyl)-1,3-oxazole?
The IUPAC name of 5-tert-butyl-2-(3-methoxypropylsulfanyl)-1,3-oxazole (CID 71917669) is 5-tert-butyl-2-(3-methoxypropylsulfanyl)-1,3-oxazole.
What is the SMILES notation for 5-tert-butyl-2-(3-methoxypropylsulfanyl)-1,3-oxazole?
The canonical SMILES for 5-tert-butyl-2-(3-methoxypropylsulfanyl)-1,3-oxazole is COCCCSc1ncc(C(C)(C)C)o1.
What is the InChIKey of 5-tert-butyl-2-(3-methoxypropylsulfanyl)-1,3-oxazole?
The InChIKey is QEPRRVDCYPVHJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO2S/c1-11(2,3)9-8-12-10(14-9)15-7-5-6-13-4/h8H,5-7H2,1-4H3.
What are the key properties of 5-tert-butyl-2-(3-methoxypropylsulfanyl)-1,3-oxazole?
5-tert-butyl-2-(3-methoxypropylsulfanyl)-1,3-oxazole has a molecular weight of 229.34 g/mol, XLogP of 3.10, 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-(3-methoxypropylsulfanyl)-1,3-oxazole is sourced from PubChem (CID 71917669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).