[4-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenyl]-(5-methylthiophen-2-yl)methanol

C17H19NO2S — CID 134099934

IUPAC[4-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenyl]-(5-methylthiophen-2-yl)methanol
SMILESCc1ccc(C(O)c2ccc(C3=NC(C)(C)CO3)cc2)s1
InChIInChI=1S/C17H19NO2S/c1-11-4-9-14(21-11)15(19)12-5-7-13(8-6-12)16-18-17(2,3)10-20-16/h4-9,15,19H,10H2,1-3H3
InChIKeyMFYXRVASBQZTGI-UHFFFAOYSA-N
MW301.41 g/mol
LogP3.69
Rot. Bonds3

About [4-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenyl]-(5-methylthiophen-2-yl)methanol

[4-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenyl]-(5-methylthiophen-2-yl)methanol (PubChem CID 134099934) has the molecular formula C17H19NO2S and a molecular weight of 301.41 g/mol. Its IUPAC name is [4-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenyl]-(5-methylthiophen-2-yl)methanol.

Molecular Properties

Compound Name[4-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenyl]-(5-methylthiophen-2-yl)methanol
PubChem CID134099934
Molecular FormulaC17H19NO2S
Molecular Weight301.41 g/mol
Exact Mass301.11
IUPAC Name[4-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenyl]-(5-methylthiophen-2-yl)methanol
SMILESCc1ccc(C(O)c2ccc(C3=NC(C)(C)CO3)cc2)s1
InChIInChI=1S/C17H19NO2S/c1-11-4-9-14(21-11)15(19)12-5-7-13(8-6-12)16-18-17(2,3)10-20-16/h4-9,15,19H,10H2,1-3H3
InChIKeyMFYXRVASBQZTGI-UHFFFAOYSA-N
XLogP3.69
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.41
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenyl]-(5-methylthiophen-2-yl)methanol?
The IUPAC name of [4-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenyl]-(5-methylthiophen-2-yl)methanol (CID 134099934) is [4-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenyl]-(5-methylthiophen-2-yl)methanol.
What is the SMILES notation for [4-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenyl]-(5-methylthiophen-2-yl)methanol?
The canonical SMILES for [4-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenyl]-(5-methylthiophen-2-yl)methanol is Cc1ccc(C(O)c2ccc(C3=NC(C)(C)CO3)cc2)s1.
What is the InChIKey of [4-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenyl]-(5-methylthiophen-2-yl)methanol?
The InChIKey is MFYXRVASBQZTGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO2S/c1-11-4-9-14(21-11)15(19)12-5-7-13(8-6-12)16-18-17(2,3)10-20-16/h4-9,15,19H,10H2,1-3H3.
What are the key properties of [4-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenyl]-(5-methylthiophen-2-yl)methanol?
[4-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenyl]-(5-methylthiophen-2-yl)methanol has a molecular weight of 301.41 g/mol, XLogP of 3.69, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenyl]-(5-methylthiophen-2-yl)methanol is sourced from PubChem (CID 134099934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).