[(4S,5S)-2-(2-methylsulfanylphenyl)-5-phenyl-4,5-dihydro-1,3-oxazol-4-yl]methanol

C17H17NO2S — CID 10614106

IUPAC[(4S,5S)-2-(2-methylsulfanylphenyl)-5-phenyl-4,5-dihydro-1,3-oxazol-4-yl]methanol
SMILESCSc1ccccc1C1=N[C@@H](CO)[C@H](c2ccccc2)O1
InChIInChI=1S/C17H17NO2S/c1-21-15-10-6-5-9-13(15)17-18-14(11-19)16(20-17)12-7-3-2-4-8-12/h2-10,14,16,19H,11H2,1H3/t14-,16-/m0/s1
InChIKeyBEZSXQVUKMKQBQ-HOCLYGCPSA-N
MW299.40 g/mol
LogP3.29
Rot. Bonds4

About [(4S,5S)-2-(2-methylsulfanylphenyl)-5-phenyl-4,5-dihydro-1,3-oxazol-4-yl]methanol

[(4S,5S)-2-(2-methylsulfanylphenyl)-5-phenyl-4,5-dihydro-1,3-oxazol-4-yl]methanol (PubChem CID 10614106) has the molecular formula C17H17NO2S and a molecular weight of 299.40 g/mol. Its IUPAC name is [(4S,5S)-2-(2-methylsulfanylphenyl)-5-phenyl-4,5-dihydro-1,3-oxazol-4-yl]methanol.

Molecular Properties

Compound Name[(4S,5S)-2-(2-methylsulfanylphenyl)-5-phenyl-4,5-dihydro-1,3-oxazol-4-yl]methanol
PubChem CID10614106
Molecular FormulaC17H17NO2S
Molecular Weight299.40 g/mol
Exact Mass299.10
IUPAC Name[(4S,5S)-2-(2-methylsulfanylphenyl)-5-phenyl-4,5-dihydro-1,3-oxazol-4-yl]methanol
SMILESCSc1ccccc1C1=N[C@@H](CO)[C@H](c2ccccc2)O1
InChIInChI=1S/C17H17NO2S/c1-21-15-10-6-5-9-13(15)17-18-14(11-19)16(20-17)12-7-3-2-4-8-12/h2-10,14,16,19H,11H2,1H3/t14-,16-/m0/s1
InChIKeyBEZSXQVUKMKQBQ-HOCLYGCPSA-N
XLogP3.29
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.40
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-Methylsulfanylphenyl)-4-phenyl-4,5-dihydro-1,3-oxazole
CID 14853174
2-(2-Ethylsulfanylphenyl)-4-phenyl-4,5-dihydro-1,3-oxazole
CID 14853176
(4S)-4-tert-butyl-2-(2-phenylsulfanylphenyl)-4,5-dihydro-1,3-oxazole
CID 10064057
(4S)-2-[2-[(R)-(4-methylphenyl)sulfinyl]phenyl]-4-propan-2-yl-4,5-dihydro-1,3-oxazole
CID 15259252
(4S)-2-[2-(4-methylphenyl)sulfinylphenyl]-4-propan-2-yl-4,5-dihydro-1,3-oxazole
CID 21626135
(R)-phenyl-[(4S)-2-phenyl-4,5-dihydro-1,3-oxazol-4-yl]methanol
CID 12034624
(4S)-4-phenyl-2-[2-[(R)-propan-2-ylsulfinyl]phenyl]-4,5-dihydro-1,3-oxazole
CID 138550974
(4S,5R)-4-(Fluoromethyl)-4,5-dihydro-5-[4-(methylsulfonyl)phenyl]-2-phenyl-oxazole-d3
CID 9862454
(4S,5R)-4-(Fluoromethyl)-5-[4-(methylthio)phenyl]-2-phenyl-4,5-dihydro-1,3-oxazole
CID 11001103
(4S,5R)-4-(Fluoromethyl)-4,5-dihydro-5-[4-(methylsulfonyl)phenyl]-2-phenyloxazole
CID 11088910
4-(Fluoromethyl)-5-(4-methylsulfanylphenyl)-2-phenyl-4,5-dihydro-1,3-oxazole
CID 14597701
2-Benzyl-4-(fluoromethyl)-5-(4-methylsulfanylphenyl)-4,5-dihydro-1,3-oxazole
CID 23374804

Frequently Asked Questions

What is the IUPAC name of [(4S,5S)-2-(2-methylsulfanylphenyl)-5-phenyl-4,5-dihydro-1,3-oxazol-4-yl]methanol?
The IUPAC name of [(4S,5S)-2-(2-methylsulfanylphenyl)-5-phenyl-4,5-dihydro-1,3-oxazol-4-yl]methanol (CID 10614106) is [(4S,5S)-2-(2-methylsulfanylphenyl)-5-phenyl-4,5-dihydro-1,3-oxazol-4-yl]methanol.
What is the SMILES notation for [(4S,5S)-2-(2-methylsulfanylphenyl)-5-phenyl-4,5-dihydro-1,3-oxazol-4-yl]methanol?
The canonical SMILES for [(4S,5S)-2-(2-methylsulfanylphenyl)-5-phenyl-4,5-dihydro-1,3-oxazol-4-yl]methanol is CSc1ccccc1C1=N[C@@H](CO)[C@H](c2ccccc2)O1.
What is the InChIKey of [(4S,5S)-2-(2-methylsulfanylphenyl)-5-phenyl-4,5-dihydro-1,3-oxazol-4-yl]methanol?
The InChIKey is BEZSXQVUKMKQBQ-HOCLYGCPSA-N. The full InChI is InChI=1S/C17H17NO2S/c1-21-15-10-6-5-9-13(15)17-18-14(11-19)16(20-17)12-7-3-2-4-8-12/h2-10,14,16,19H,11H2,1H3/t14-,16-/m0/s1.
What are the key properties of [(4S,5S)-2-(2-methylsulfanylphenyl)-5-phenyl-4,5-dihydro-1,3-oxazol-4-yl]methanol?
[(4S,5S)-2-(2-methylsulfanylphenyl)-5-phenyl-4,5-dihydro-1,3-oxazol-4-yl]methanol has a molecular weight of 299.40 g/mol, XLogP of 3.29, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(4S,5S)-2-(2-methylsulfanylphenyl)-5-phenyl-4,5-dihydro-1,3-oxazol-4-yl]methanol is sourced from PubChem (CID 10614106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).