5-(fluoromethyl)-4-[(R)-(4-methylphenyl)sulfinyl]-3-phenyl-4H-1,2-oxazol-5-ol

C17H16FNO3S — CID 14954402

IUPAC5-(fluoromethyl)-4-[(R)-(4-methylphenyl)sulfinyl]-3-phenyl-4H-1,2-oxazol-5-ol
SMILESCc1ccc([S@](=O)C2C(c3ccccc3)=NOC2(O)CF)cc1
InChIInChI=1S/C17H16FNO3S/c1-12-7-9-14(10-8-12)23(21)16-15(13-5-3-2-4-6-13)19-22-17(16,20)11-18/h2-10,16,20H,11H2,1H3/t16?,17?,23-/m0/s1
InChIKeyPPGUHNXYBFGORZ-OCJFHSIUSA-N
MW333.38 g/mol
LogP2.56
Rot. Bonds4

About 5-(fluoromethyl)-4-[(R)-(4-methylphenyl)sulfinyl]-3-phenyl-4H-1,2-oxazol-5-ol

5-(fluoromethyl)-4-[(R)-(4-methylphenyl)sulfinyl]-3-phenyl-4H-1,2-oxazol-5-ol (PubChem CID 14954402) has the molecular formula C17H16FNO3S and a molecular weight of 333.38 g/mol. Its IUPAC name is 5-(fluoromethyl)-4-[(R)-(4-methylphenyl)sulfinyl]-3-phenyl-4H-1,2-oxazol-5-ol.

Molecular Properties

Compound Name5-(fluoromethyl)-4-[(R)-(4-methylphenyl)sulfinyl]-3-phenyl-4H-1,2-oxazol-5-ol
PubChem CID14954402
Molecular FormulaC17H16FNO3S
Molecular Weight333.38 g/mol
Exact Mass333.08
IUPAC Name5-(fluoromethyl)-4-[(R)-(4-methylphenyl)sulfinyl]-3-phenyl-4H-1,2-oxazol-5-ol
SMILESCc1ccc([S@](=O)C2C(c3ccccc3)=NOC2(O)CF)cc1
InChIInChI=1S/C17H16FNO3S/c1-12-7-9-14(10-8-12)23(21)16-15(13-5-3-2-4-6-13)19-22-17(16,20)11-18/h2-10,16,20H,11H2,1H3/t16?,17?,23-/m0/s1
InChIKeyPPGUHNXYBFGORZ-OCJFHSIUSA-N
XLogP2.56
TPSA58.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.38
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(r)-4,5-Dihydro-3-(4-fluorophenyl)-5-(phenylsulfonyl)isoxazole
CID 129837717
5-[(2-Fluorophenyl)sulfonylmethyl]-3-phenyl-4,5-dihydro-1,2-oxazole
CID 178337551
5-(Benzenesulfonyl)-3-phenyl-4,5-dihydro-1,2-oxazole
CID 10637018
(4S,5R)-5-(fluoromethyl)-5-methoxy-4-[(R)-(4-methylphenyl)sulfinyl]-3-phenyl-4H-1,2-oxazole
CID 15643600
(4S,5R)-5-methyl-4-[(R)-(4-methylphenyl)sulfinyl]-3-phenyl-5-(trifluoromethyl)-4H-1,2-oxazole
CID 59652527
(4S,5R)-5-methoxy-4-[(R)-(4-methylphenyl)sulfinyl]-3-phenyl-5-(trifluoromethyl)-4H-1,2-oxazole
CID 117788597
(4S,5R)-5-(difluoromethyl)-5-methoxy-4-[(R)-(4-methylphenyl)sulfinyl]-3-phenyl-4H-1,2-oxazole
CID 117788604
(5R)-5-methoxy-4-[(R)-(4-methylphenyl)sulfinyl]-3-phenyl-5-(trifluoromethyl)-4H-1,2-oxazole
CID 143608169
[5-(fluoromethyl)-5-hydroxy-3-phenyl-4H-1,2-oxazol-4-yl]-methoxy-(4-methylphenyl)sulfanium
CID 143608207
3-[4-(benzenesulfonylmethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-5-ol
CID 155412808
3-[4-[(phenylsulfonimidoyl)methyl]phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-5-ol
CID 155412933
3-[4-(2-chlorophenyl)sulfinylphenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-5-ol
CID 155412953

Frequently Asked Questions

What is the IUPAC name of 5-(fluoromethyl)-4-[(R)-(4-methylphenyl)sulfinyl]-3-phenyl-4H-1,2-oxazol-5-ol?
The IUPAC name of 5-(fluoromethyl)-4-[(R)-(4-methylphenyl)sulfinyl]-3-phenyl-4H-1,2-oxazol-5-ol (CID 14954402) is 5-(fluoromethyl)-4-[(R)-(4-methylphenyl)sulfinyl]-3-phenyl-4H-1,2-oxazol-5-ol.
What is the SMILES notation for 5-(fluoromethyl)-4-[(R)-(4-methylphenyl)sulfinyl]-3-phenyl-4H-1,2-oxazol-5-ol?
The canonical SMILES for 5-(fluoromethyl)-4-[(R)-(4-methylphenyl)sulfinyl]-3-phenyl-4H-1,2-oxazol-5-ol is Cc1ccc([S@](=O)C2C(c3ccccc3)=NOC2(O)CF)cc1.
What is the InChIKey of 5-(fluoromethyl)-4-[(R)-(4-methylphenyl)sulfinyl]-3-phenyl-4H-1,2-oxazol-5-ol?
The InChIKey is PPGUHNXYBFGORZ-OCJFHSIUSA-N. The full InChI is InChI=1S/C17H16FNO3S/c1-12-7-9-14(10-8-12)23(21)16-15(13-5-3-2-4-6-13)19-22-17(16,20)11-18/h2-10,16,20H,11H2,1H3/t16?,17?,23-/m0/s1.
What are the key properties of 5-(fluoromethyl)-4-[(R)-(4-methylphenyl)sulfinyl]-3-phenyl-4H-1,2-oxazol-5-ol?
5-(fluoromethyl)-4-[(R)-(4-methylphenyl)sulfinyl]-3-phenyl-4H-1,2-oxazol-5-ol has a molecular weight of 333.38 g/mol, XLogP of 2.56, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(fluoromethyl)-4-[(R)-(4-methylphenyl)sulfinyl]-3-phenyl-4H-1,2-oxazol-5-ol is sourced from PubChem (CID 14954402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).