2-(3,3-diethoxypropylsulfanyl)-4-methyl-1,3-oxazole

C11H19NO3S — CID 106924051

IUPAC2-(3,3-diethoxypropylsulfanyl)-4-methyl-1,3-oxazole
SMILESCCOC(CCSc1nc(C)co1)OCC
InChIInChI=1S/C11H19NO3S/c1-4-13-10(14-5-2)6-7-16-11-12-9(3)8-15-11/h8,10H,4-7H2,1-3H3
InChIKeyFLWUGQIDISMKJB-UHFFFAOYSA-N
MW245.34 g/mol
LogP2.86
Rot. Bonds8

About 2-(3,3-diethoxypropylsulfanyl)-4-methyl-1,3-oxazole

2-(3,3-diethoxypropylsulfanyl)-4-methyl-1,3-oxazole (PubChem CID 106924051) has the molecular formula C11H19NO3S and a molecular weight of 245.34 g/mol. Its IUPAC name is 2-(3,3-diethoxypropylsulfanyl)-4-methyl-1,3-oxazole.

Molecular Properties

Compound Name2-(3,3-diethoxypropylsulfanyl)-4-methyl-1,3-oxazole
PubChem CID106924051
Molecular FormulaC11H19NO3S
Molecular Weight245.34 g/mol
Exact Mass245.11
IUPAC Name2-(3,3-diethoxypropylsulfanyl)-4-methyl-1,3-oxazole
SMILESCCOC(CCSc1nc(C)co1)OCC
InChIInChI=1S/C11H19NO3S/c1-4-13-10(14-5-2)6-7-16-11-12-9(3)8-15-11/h8,10H,4-7H2,1-3H3
InChIKeyFLWUGQIDISMKJB-UHFFFAOYSA-N
XLogP2.86
TPSA44.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.34
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]butan-2-ol
CID 106923608
ethyl 3-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]propanoate
CID 106920837
2-(3-chloropropylsulfanyl)-4-methyl-1,3-oxazole
CID 106920998
N-[2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]ethyl]butan-1-amine
CID 106925866
(2S)-1-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]propan-2-ol
CID 106933459
1-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]hexan-2-ol
CID 22367311
2-(2-azidoethylsulfanyl)-4-methyl-1,3-oxazole
CID 106924308
1-(4-ethoxyphenyl)-2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]ethanamine
CID 106927594
2-[(4-methyl-1,3-oxazol-2-yl)sulfanylmethyl]butane-1-thiol
CID 106928123
3-(3,3-diethoxypropylsulfanyl)-5-methyl-1H-1,2,4-triazole
CID 63629318
6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]hexanoic acid
CID 106920818
3,3-dimethyl-1-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]butan-2-amine
CID 106927786

Frequently Asked Questions

What is the IUPAC name of 2-(3,3-diethoxypropylsulfanyl)-4-methyl-1,3-oxazole?
The IUPAC name of 2-(3,3-diethoxypropylsulfanyl)-4-methyl-1,3-oxazole (CID 106924051) is 2-(3,3-diethoxypropylsulfanyl)-4-methyl-1,3-oxazole.
What is the SMILES notation for 2-(3,3-diethoxypropylsulfanyl)-4-methyl-1,3-oxazole?
The canonical SMILES for 2-(3,3-diethoxypropylsulfanyl)-4-methyl-1,3-oxazole is CCOC(CCSc1nc(C)co1)OCC.
What is the InChIKey of 2-(3,3-diethoxypropylsulfanyl)-4-methyl-1,3-oxazole?
The InChIKey is FLWUGQIDISMKJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO3S/c1-4-13-10(14-5-2)6-7-16-11-12-9(3)8-15-11/h8,10H,4-7H2,1-3H3.
What are the key properties of 2-(3,3-diethoxypropylsulfanyl)-4-methyl-1,3-oxazole?
2-(3,3-diethoxypropylsulfanyl)-4-methyl-1,3-oxazole has a molecular weight of 245.34 g/mol, XLogP of 2.86, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,3-diethoxypropylsulfanyl)-4-methyl-1,3-oxazole is sourced from PubChem (CID 106924051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).