[4-[(4-fluorothiophen-2-yl)methyl]-5-(4-methylsulfonylphenyl)-1,3-oxazol-2-yl]methanol

C16H14FNO4S2 — CID 54055324

IUPAC[4-[(4-fluorothiophen-2-yl)methyl]-5-(4-methylsulfonylphenyl)-1,3-oxazol-2-yl]methanol
SMILESCS(=O)(=O)c1ccc(-c2oc(CO)nc2Cc2cc(F)cs2)cc1
InChIInChI=1S/C16H14FNO4S2/c1-24(20,21)13-4-2-10(3-5-13)16-14(18-15(8-19)22-16)7-12-6-11(17)9-23-12/h2-6,9,19H,7-8H2,1H3
InChIKeyLVVCRLGFISRWJM-UHFFFAOYSA-N
MW367.42 g/mol
LogP3.03
Rot. Bonds5

About [4-[(4-fluorothiophen-2-yl)methyl]-5-(4-methylsulfonylphenyl)-1,3-oxazol-2-yl]methanol

[4-[(4-fluorothiophen-2-yl)methyl]-5-(4-methylsulfonylphenyl)-1,3-oxazol-2-yl]methanol (PubChem CID 54055324) has the molecular formula C16H14FNO4S2 and a molecular weight of 367.42 g/mol. Its IUPAC name is [4-[(4-fluorothiophen-2-yl)methyl]-5-(4-methylsulfonylphenyl)-1,3-oxazol-2-yl]methanol.

Molecular Properties

Compound Name[4-[(4-fluorothiophen-2-yl)methyl]-5-(4-methylsulfonylphenyl)-1,3-oxazol-2-yl]methanol
PubChem CID54055324
Molecular FormulaC16H14FNO4S2
Molecular Weight367.42 g/mol
Exact Mass367.03
IUPAC Name[4-[(4-fluorothiophen-2-yl)methyl]-5-(4-methylsulfonylphenyl)-1,3-oxazol-2-yl]methanol
SMILESCS(=O)(=O)c1ccc(-c2oc(CO)nc2Cc2cc(F)cs2)cc1
InChIInChI=1S/C16H14FNO4S2/c1-24(20,21)13-4-2-10(3-5-13)16-14(18-15(8-19)22-16)7-12-6-11(17)9-23-12/h2-6,9,19H,7-8H2,1H3
InChIKeyLVVCRLGFISRWJM-UHFFFAOYSA-N
XLogP3.03
TPSA80.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.42
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [4-[(4-fluorothiophen-2-yl)methyl]-5-(4-methylsulfonylphenyl)-1,3-oxazol-2-yl]methanol?
The IUPAC name of [4-[(4-fluorothiophen-2-yl)methyl]-5-(4-methylsulfonylphenyl)-1,3-oxazol-2-yl]methanol (CID 54055324) is [4-[(4-fluorothiophen-2-yl)methyl]-5-(4-methylsulfonylphenyl)-1,3-oxazol-2-yl]methanol.
What is the SMILES notation for [4-[(4-fluorothiophen-2-yl)methyl]-5-(4-methylsulfonylphenyl)-1,3-oxazol-2-yl]methanol?
The canonical SMILES for [4-[(4-fluorothiophen-2-yl)methyl]-5-(4-methylsulfonylphenyl)-1,3-oxazol-2-yl]methanol is CS(=O)(=O)c1ccc(-c2oc(CO)nc2Cc2cc(F)cs2)cc1.
What is the InChIKey of [4-[(4-fluorothiophen-2-yl)methyl]-5-(4-methylsulfonylphenyl)-1,3-oxazol-2-yl]methanol?
The InChIKey is LVVCRLGFISRWJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FNO4S2/c1-24(20,21)13-4-2-10(3-5-13)16-14(18-15(8-19)22-16)7-12-6-11(17)9-23-12/h2-6,9,19H,7-8H2,1H3.
What are the key properties of [4-[(4-fluorothiophen-2-yl)methyl]-5-(4-methylsulfonylphenyl)-1,3-oxazol-2-yl]methanol?
[4-[(4-fluorothiophen-2-yl)methyl]-5-(4-methylsulfonylphenyl)-1,3-oxazol-2-yl]methanol has a molecular weight of 367.42 g/mol, XLogP of 3.03, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(4-fluorothiophen-2-yl)methyl]-5-(4-methylsulfonylphenyl)-1,3-oxazol-2-yl]methanol is sourced from PubChem (CID 54055324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).