2-[[4-(methoxymethyl)phenyl]sulfinylmethyl]-5-thiophen-2-yl-1,3-oxazole

C16H15NO3S2 — CID 75377923

IUPAC2-[[4-(methoxymethyl)phenyl]sulfinylmethyl]-5-thiophen-2-yl-1,3-oxazole
SMILESCOCc1ccc(S(=O)Cc2ncc(-c3cccs3)o2)cc1
InChIInChI=1S/C16H15NO3S2/c1-19-10-12-4-6-13(7-5-12)22(18)11-16-17-9-14(20-16)15-3-2-8-21-15/h2-9H,10-11H2,1H3
InChIKeyWBQIAVCZTMBQDG-UHFFFAOYSA-N
MW333.43 g/mol
LogP3.86
Rot. Bonds6

About 2-[[4-(methoxymethyl)phenyl]sulfinylmethyl]-5-thiophen-2-yl-1,3-oxazole

2-[[4-(methoxymethyl)phenyl]sulfinylmethyl]-5-thiophen-2-yl-1,3-oxazole (PubChem CID 75377923) has the molecular formula C16H15NO3S2 and a molecular weight of 333.43 g/mol. Its IUPAC name is 2-[[4-(methoxymethyl)phenyl]sulfinylmethyl]-5-thiophen-2-yl-1,3-oxazole.

Molecular Properties

Compound Name2-[[4-(methoxymethyl)phenyl]sulfinylmethyl]-5-thiophen-2-yl-1,3-oxazole
PubChem CID75377923
Molecular FormulaC16H15NO3S2
Molecular Weight333.43 g/mol
Exact Mass333.05
IUPAC Name2-[[4-(methoxymethyl)phenyl]sulfinylmethyl]-5-thiophen-2-yl-1,3-oxazole
SMILESCOCc1ccc(S(=O)Cc2ncc(-c3cccs3)o2)cc1
InChIInChI=1S/C16H15NO3S2/c1-19-10-12-4-6-13(7-5-12)22(18)11-16-17-9-14(20-16)15-3-2-8-21-15/h2-9H,10-11H2,1H3
InChIKeyWBQIAVCZTMBQDG-UHFFFAOYSA-N
XLogP3.86
TPSA52.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.43
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(3,4-dimethoxyphenyl)sulfinylmethyl]-5-thiophen-2-yl-1,3-oxazole
CID 84586423
2-[[(S)-(3,4-dimethylphenyl)sulfinyl]methyl]-5-thiophen-2-yl-1,3-oxazole
CID 97031157
[4-chloro-3-[(5-thiophen-2-yl-1,3-oxazol-2-yl)methylamino]phenyl]methanol
CID 71985215
2-(methoxymethyl)-5-thiophen-2-yl-1,3,4-oxadiazole
CID 53017470
methyl (2S)-1-[(5-thiophen-2-yl-1,3-oxazol-2-yl)methyl]pyrrolidine-2-carboxylate
CID 56791543
1-(5-methylfuran-2-yl)-N-[(5-thiophen-2-yl-1,3-oxazol-2-yl)methyl]ethanamine
CID 86789550
2-(methoxymethyl)thiophene
CID 10240820
1-prop-2-enyl-3-[(5-thiophen-2-yl-1,3-oxazol-2-yl)methyl]imidazolidine-2,4,5-trione
CID 56785010
N-methyl-1-[(5-thiophen-2-yl-1,3-oxazol-2-yl)methyl]piperidin-3-amine
CID 119919890
2-thiophen-2-yl-5-(5-thiophen-2-ylfuran-2-yl)furan
CID 102347671
3-[methyl-[(5-thiophen-2-yl-1,3-oxazol-2-yl)methyl]amino]-3-phenylpropan-1-ol
CID 111489158
3-propan-2-yl-4-[(5-thiophen-2-yl-1,3-oxazol-2-yl)methyl]piperazin-2-one
CID 126784426

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(methoxymethyl)phenyl]sulfinylmethyl]-5-thiophen-2-yl-1,3-oxazole?
The IUPAC name of 2-[[4-(methoxymethyl)phenyl]sulfinylmethyl]-5-thiophen-2-yl-1,3-oxazole (CID 75377923) is 2-[[4-(methoxymethyl)phenyl]sulfinylmethyl]-5-thiophen-2-yl-1,3-oxazole.
What is the SMILES notation for 2-[[4-(methoxymethyl)phenyl]sulfinylmethyl]-5-thiophen-2-yl-1,3-oxazole?
The canonical SMILES for 2-[[4-(methoxymethyl)phenyl]sulfinylmethyl]-5-thiophen-2-yl-1,3-oxazole is COCc1ccc(S(=O)Cc2ncc(-c3cccs3)o2)cc1.
What is the InChIKey of 2-[[4-(methoxymethyl)phenyl]sulfinylmethyl]-5-thiophen-2-yl-1,3-oxazole?
The InChIKey is WBQIAVCZTMBQDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO3S2/c1-19-10-12-4-6-13(7-5-12)22(18)11-16-17-9-14(20-16)15-3-2-8-21-15/h2-9H,10-11H2,1H3.
What are the key properties of 2-[[4-(methoxymethyl)phenyl]sulfinylmethyl]-5-thiophen-2-yl-1,3-oxazole?
2-[[4-(methoxymethyl)phenyl]sulfinylmethyl]-5-thiophen-2-yl-1,3-oxazole has a molecular weight of 333.43 g/mol, XLogP of 3.86, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(methoxymethyl)phenyl]sulfinylmethyl]-5-thiophen-2-yl-1,3-oxazole is sourced from PubChem (CID 75377923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).