(4S)-2-[2-[(R)-(4-methylphenyl)sulfinyl]phenyl]-4-propan-2-yl-4,5-dihydro-1,3-oxazole

C19H21NO2S — CID 15259252

IUPAC(4S)-2-[2-[(R)-(4-methylphenyl)sulfinyl]phenyl]-4-propan-2-yl-4,5-dihydro-1,3-oxazole
SMILESCc1ccc([S@@](=O)c2ccccc2C2=N[C@@H](C(C)C)CO2)cc1
InChIInChI=1S/C19H21NO2S/c1-13(2)17-12-22-19(20-17)16-6-4-5-7-18(16)23(21)15-10-8-14(3)9-11-15/h4-11,13,17H,12H2,1-3H3/t17-,23-/m1/s1
InChIKeyYEHLBWCYEFMSOD-UZUQRXQVSA-N
MW327.45 g/mol
LogP3.96
Rot. Bonds4

About (4S)-2-[2-[(R)-(4-methylphenyl)sulfinyl]phenyl]-4-propan-2-yl-4,5-dihydro-1,3-oxazole

(4S)-2-[2-[(R)-(4-methylphenyl)sulfinyl]phenyl]-4-propan-2-yl-4,5-dihydro-1,3-oxazole (PubChem CID 15259252) has the molecular formula C19H21NO2S and a molecular weight of 327.45 g/mol. Its IUPAC name is (4S)-2-[2-[(R)-(4-methylphenyl)sulfinyl]phenyl]-4-propan-2-yl-4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name(4S)-2-[2-[(R)-(4-methylphenyl)sulfinyl]phenyl]-4-propan-2-yl-4,5-dihydro-1,3-oxazole
PubChem CID15259252
Molecular FormulaC19H21NO2S
Molecular Weight327.45 g/mol
Exact Mass327.13
IUPAC Name(4S)-2-[2-[(R)-(4-methylphenyl)sulfinyl]phenyl]-4-propan-2-yl-4,5-dihydro-1,3-oxazole
SMILESCc1ccc([S@@](=O)c2ccccc2C2=N[C@@H](C(C)C)CO2)cc1
InChIInChI=1S/C19H21NO2S/c1-13(2)17-12-22-19(20-17)16-6-4-5-7-18(16)23(21)15-10-8-14(3)9-11-15/h4-11,13,17H,12H2,1-3H3/t17-,23-/m1/s1
InChIKeyYEHLBWCYEFMSOD-UZUQRXQVSA-N
XLogP3.96
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.45
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4S)-2-[2-[(R)-(4-methylphenyl)sulfinyl]phenyl]-4-propan-2-yl-4,5-dihydro-1,3-oxazole?
The IUPAC name of (4S)-2-[2-[(R)-(4-methylphenyl)sulfinyl]phenyl]-4-propan-2-yl-4,5-dihydro-1,3-oxazole (CID 15259252) is (4S)-2-[2-[(R)-(4-methylphenyl)sulfinyl]phenyl]-4-propan-2-yl-4,5-dihydro-1,3-oxazole.
What is the SMILES notation for (4S)-2-[2-[(R)-(4-methylphenyl)sulfinyl]phenyl]-4-propan-2-yl-4,5-dihydro-1,3-oxazole?
The canonical SMILES for (4S)-2-[2-[(R)-(4-methylphenyl)sulfinyl]phenyl]-4-propan-2-yl-4,5-dihydro-1,3-oxazole is Cc1ccc([S@@](=O)c2ccccc2C2=N[C@@H](C(C)C)CO2)cc1.
What is the InChIKey of (4S)-2-[2-[(R)-(4-methylphenyl)sulfinyl]phenyl]-4-propan-2-yl-4,5-dihydro-1,3-oxazole?
The InChIKey is YEHLBWCYEFMSOD-UZUQRXQVSA-N. The full InChI is InChI=1S/C19H21NO2S/c1-13(2)17-12-22-19(20-17)16-6-4-5-7-18(16)23(21)15-10-8-14(3)9-11-15/h4-11,13,17H,12H2,1-3H3/t17-,23-/m1/s1.
What are the key properties of (4S)-2-[2-[(R)-(4-methylphenyl)sulfinyl]phenyl]-4-propan-2-yl-4,5-dihydro-1,3-oxazole?
(4S)-2-[2-[(R)-(4-methylphenyl)sulfinyl]phenyl]-4-propan-2-yl-4,5-dihydro-1,3-oxazole has a molecular weight of 327.45 g/mol, XLogP of 3.96, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-2-[2-[(R)-(4-methylphenyl)sulfinyl]phenyl]-4-propan-2-yl-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 15259252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).