(4S,5R)-4-(fluoromethyl)-5-(4-methylthiophen-2-yl)-2-phenyl-4,5-dihydro-1,3-oxazole

C15H14FNOS — CID 67566535

IUPAC(4S,5R)-4-(fluoromethyl)-5-(4-methylthiophen-2-yl)-2-phenyl-4,5-dihydro-1,3-oxazole
SMILESCc1csc([C@@H]2OC(c3ccccc3)=N[C@@H]2CF)c1
InChIInChI=1S/C15H14FNOS/c1-10-7-13(19-9-10)14-12(8-16)17-15(18-14)11-5-3-2-4-6-11/h2-7,9,12,14H,8H2,1H3/t12-,14-/m1/s1
InChIKeyPLSZYTCLGFRJAV-TZMCWYRMSA-N
MW275.35 g/mol
LogP3.91
Rot. Bonds3

About (4S,5R)-4-(fluoromethyl)-5-(4-methylthiophen-2-yl)-2-phenyl-4,5-dihydro-1,3-oxazole

(4S,5R)-4-(fluoromethyl)-5-(4-methylthiophen-2-yl)-2-phenyl-4,5-dihydro-1,3-oxazole (PubChem CID 67566535) has the molecular formula C15H14FNOS and a molecular weight of 275.35 g/mol. Its IUPAC name is (4S,5R)-4-(fluoromethyl)-5-(4-methylthiophen-2-yl)-2-phenyl-4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name(4S,5R)-4-(fluoromethyl)-5-(4-methylthiophen-2-yl)-2-phenyl-4,5-dihydro-1,3-oxazole
PubChem CID67566535
Molecular FormulaC15H14FNOS
Molecular Weight275.35 g/mol
Exact Mass275.08
IUPAC Name(4S,5R)-4-(fluoromethyl)-5-(4-methylthiophen-2-yl)-2-phenyl-4,5-dihydro-1,3-oxazole
SMILESCc1csc([C@@H]2OC(c3ccccc3)=N[C@@H]2CF)c1
InChIInChI=1S/C15H14FNOS/c1-10-7-13(19-9-10)14-12(8-16)17-15(18-14)11-5-3-2-4-6-11/h2-7,9,12,14H,8H2,1H3/t12-,14-/m1/s1
InChIKeyPLSZYTCLGFRJAV-TZMCWYRMSA-N
XLogP3.91
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4S,5R)-4-(fluoromethyl)-5-(4-methylthiophen-2-yl)-2-phenyl-4,5-dihydro-1,3-oxazole?
The IUPAC name of (4S,5R)-4-(fluoromethyl)-5-(4-methylthiophen-2-yl)-2-phenyl-4,5-dihydro-1,3-oxazole (CID 67566535) is (4S,5R)-4-(fluoromethyl)-5-(4-methylthiophen-2-yl)-2-phenyl-4,5-dihydro-1,3-oxazole.
What is the SMILES notation for (4S,5R)-4-(fluoromethyl)-5-(4-methylthiophen-2-yl)-2-phenyl-4,5-dihydro-1,3-oxazole?
The canonical SMILES for (4S,5R)-4-(fluoromethyl)-5-(4-methylthiophen-2-yl)-2-phenyl-4,5-dihydro-1,3-oxazole is Cc1csc([C@@H]2OC(c3ccccc3)=N[C@@H]2CF)c1.
What is the InChIKey of (4S,5R)-4-(fluoromethyl)-5-(4-methylthiophen-2-yl)-2-phenyl-4,5-dihydro-1,3-oxazole?
The InChIKey is PLSZYTCLGFRJAV-TZMCWYRMSA-N. The full InChI is InChI=1S/C15H14FNOS/c1-10-7-13(19-9-10)14-12(8-16)17-15(18-14)11-5-3-2-4-6-11/h2-7,9,12,14H,8H2,1H3/t12-,14-/m1/s1.
What are the key properties of (4S,5R)-4-(fluoromethyl)-5-(4-methylthiophen-2-yl)-2-phenyl-4,5-dihydro-1,3-oxazole?
(4S,5R)-4-(fluoromethyl)-5-(4-methylthiophen-2-yl)-2-phenyl-4,5-dihydro-1,3-oxazole has a molecular weight of 275.35 g/mol, XLogP of 3.91, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5R)-4-(fluoromethyl)-5-(4-methylthiophen-2-yl)-2-phenyl-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 67566535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).