4-[(S)-[5-(2-methoxyphenyl)-1,3-oxazol-2-yl]methylsulfinyl]phenol

C17H15NO4S — CID 99812055

IUPAC4-[(S)-[5-(2-methoxyphenyl)-1,3-oxazol-2-yl]methylsulfinyl]phenol
SMILESCOc1ccccc1-c1cnc(C[S@](=O)c2ccc(O)cc2)o1
InChIInChI=1S/C17H15NO4S/c1-21-15-5-3-2-4-14(15)16-10-18-17(22-16)11-23(20)13-8-6-12(19)7-9-13/h2-10,19H,11H2,1H3/t23-/m0/s1
InChIKeyLAULNKWSWGJDAO-QHCPKHFHSA-N
MW329.38 g/mol
LogP3.36
Rot. Bonds5

About 4-[(S)-[5-(2-methoxyphenyl)-1,3-oxazol-2-yl]methylsulfinyl]phenol

4-[(S)-[5-(2-methoxyphenyl)-1,3-oxazol-2-yl]methylsulfinyl]phenol (PubChem CID 99812055) has the molecular formula C17H15NO4S and a molecular weight of 329.38 g/mol. Its IUPAC name is 4-[(S)-[5-(2-methoxyphenyl)-1,3-oxazol-2-yl]methylsulfinyl]phenol.

Molecular Properties

Compound Name4-[(S)-[5-(2-methoxyphenyl)-1,3-oxazol-2-yl]methylsulfinyl]phenol
PubChem CID99812055
Molecular FormulaC17H15NO4S
Molecular Weight329.38 g/mol
Exact Mass329.07
IUPAC Name4-[(S)-[5-(2-methoxyphenyl)-1,3-oxazol-2-yl]methylsulfinyl]phenol
SMILESCOc1ccccc1-c1cnc(C[S@](=O)c2ccc(O)cc2)o1
InChIInChI=1S/C17H15NO4S/c1-21-15-5-3-2-4-14(15)16-10-18-17(22-16)11-23(20)13-8-6-12(19)7-9-13/h2-10,19H,11H2,1H3/t23-/m0/s1
InChIKeyLAULNKWSWGJDAO-QHCPKHFHSA-N
XLogP3.36
TPSA72.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.38
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3-chloropropyl)-5-(2-methoxyphenyl)-1,3-oxazole
CID 65180005
7-[5-(2-methoxyphenyl)-1,3-oxazol-2-yl]heptanal
CID 89098544
N-ethyl-2-[5-(2-methoxyphenyl)-1,3-oxazol-2-yl]ethanamine
CID 65182800
2-(azetidin-3-ylmethyl)-5-(2-methoxyphenyl)-1,3-oxazole
CID 115045283
2-[(3,4-dimethoxyphenyl)sulfinylmethyl]-5-thiophen-2-yl-1,3-oxazole
CID 84586423
N-[2-[5-(2-methoxyphenyl)-1,3-oxazol-2-yl]ethyl]cyclopropanamine
CID 65182442
2-[[4-(methoxymethyl)phenyl]sulfinylmethyl]-5-thiophen-2-yl-1,3-oxazole
CID 75377923
2-tert-butyl-5-(2-methoxyphenyl)-1,3-oxazole
CID 154771329
4-[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]phenol
CID 137228616
2-(azetidin-3-yl)-5-(2-methoxyphenyl)-1,3-oxazole
CID 115037712
2-[[(S)-(3,4-dimethylphenyl)sulfinyl]methyl]-5-thiophen-2-yl-1,3-oxazole
CID 97031157
2-(chloromethyl)-5-(2,5-dimethoxyphenyl)-1,3-oxazole
CID 43144202

Frequently Asked Questions

What is the IUPAC name of 4-[(S)-[5-(2-methoxyphenyl)-1,3-oxazol-2-yl]methylsulfinyl]phenol?
The IUPAC name of 4-[(S)-[5-(2-methoxyphenyl)-1,3-oxazol-2-yl]methylsulfinyl]phenol (CID 99812055) is 4-[(S)-[5-(2-methoxyphenyl)-1,3-oxazol-2-yl]methylsulfinyl]phenol.
What is the SMILES notation for 4-[(S)-[5-(2-methoxyphenyl)-1,3-oxazol-2-yl]methylsulfinyl]phenol?
The canonical SMILES for 4-[(S)-[5-(2-methoxyphenyl)-1,3-oxazol-2-yl]methylsulfinyl]phenol is COc1ccccc1-c1cnc(C[S@](=O)c2ccc(O)cc2)o1.
What is the InChIKey of 4-[(S)-[5-(2-methoxyphenyl)-1,3-oxazol-2-yl]methylsulfinyl]phenol?
The InChIKey is LAULNKWSWGJDAO-QHCPKHFHSA-N. The full InChI is InChI=1S/C17H15NO4S/c1-21-15-5-3-2-4-14(15)16-10-18-17(22-16)11-23(20)13-8-6-12(19)7-9-13/h2-10,19H,11H2,1H3/t23-/m0/s1.
What are the key properties of 4-[(S)-[5-(2-methoxyphenyl)-1,3-oxazol-2-yl]methylsulfinyl]phenol?
4-[(S)-[5-(2-methoxyphenyl)-1,3-oxazol-2-yl]methylsulfinyl]phenol has a molecular weight of 329.38 g/mol, XLogP of 3.36, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(S)-[5-(2-methoxyphenyl)-1,3-oxazol-2-yl]methylsulfinyl]phenol is sourced from PubChem (CID 99812055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).