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

C14H19NO2S — CID 10515842

IUPAC(4S)-2-[[(R)-(4-methylphenyl)sulfinyl]methyl]-4-propan-2-yl-4,5-dihydro-1,3-oxazole
SMILESCc1ccc([S@](=O)CC2=N[C@@H](C(C)C)CO2)cc1
InChIInChI=1S/C14H19NO2S/c1-10(2)13-8-17-14(15-13)9-18(16)12-6-4-11(3)5-7-12/h4-7,10,13H,8-9H2,1-3H3/t13-,18-/m1/s1
InChIKeyWDBHBGHPPQCNLP-FZKQIMNGSA-N
MW265.38 g/mol
LogP2.56
Rot. Bonds4

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

(4S)-2-[[(R)-(4-methylphenyl)sulfinyl]methyl]-4-propan-2-yl-4,5-dihydro-1,3-oxazole (PubChem CID 10515842) has the molecular formula C14H19NO2S and a molecular weight of 265.38 g/mol. Its IUPAC name is (4S)-2-[[(R)-(4-methylphenyl)sulfinyl]methyl]-4-propan-2-yl-4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name(4S)-2-[[(R)-(4-methylphenyl)sulfinyl]methyl]-4-propan-2-yl-4,5-dihydro-1,3-oxazole
PubChem CID10515842
Molecular FormulaC14H19NO2S
Molecular Weight265.38 g/mol
Exact Mass265.11
IUPAC Name(4S)-2-[[(R)-(4-methylphenyl)sulfinyl]methyl]-4-propan-2-yl-4,5-dihydro-1,3-oxazole
SMILESCc1ccc([S@](=O)CC2=N[C@@H](C(C)C)CO2)cc1
InChIInChI=1S/C14H19NO2S/c1-10(2)13-8-17-14(15-13)9-18(16)12-6-4-11(3)5-7-12/h4-7,10,13H,8-9H2,1-3H3/t13-,18-/m1/s1
InChIKeyWDBHBGHPPQCNLP-FZKQIMNGSA-N
XLogP2.56
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.38
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (4S)-2-[[(R)-(4-methylphenyl)sulfinyl]methyl]-4-propan-2-yl-4,5-dihydro-1,3-oxazole with MolForge

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Related Compounds

2-[[(E)-2-(4-methylphenyl)sulfonylethenyl]sulfonylmethyl]-4,5-dihydro-1,3-oxazole
CID 46837862
Tosyloxazoline
CID 22170067
5-Methyl-4-(4-methylphenyl)sulfonyl-4,5-dihydro-1,3-oxazole
CID 13790861
3-(4-Methylphenyl)-5-propan-2-yl-1-oxa-3lambda6-thia-4-azacyclohex-3-ene 3-oxide
CID 134845601
(3S)-3-(4-methylphenyl)-5-propan-2-yl-1-oxa-3lambda6-thia-4-azacyclohex-3-ene 3-oxide
CID 134845999
(5S)-3-(4-methylphenyl)-5-propan-2-yl-1-oxa-3lambda6-thia-4-azacyclohex-3-ene 3-oxide
CID 134846297
(4S,5S)-4-(4-methylphenyl)sulfonyl-5-propyl-4,5-dihydro-1,3-oxazole
CID 134907557
(4S,5S)-5-butyl-4-(4-methylphenyl)sulfonyl-4,5-dihydro-1,3-oxazole
CID 134907578
[(4R)-2-ethylsulfanyl-4,5-dihydro-1,3-thiazol-4-yl]methyl 4-methylbenzenesulfonate
CID 139247957
[(4R)-2-butylsulfanyl-4,5-dihydro-1,3-thiazol-4-yl]methyl 4-methylbenzenesulfonate
CID 139247958
4,4-dimethyl-2-(p-tolylsulfinylmethyl)-5H-oxazole
CID 342715
(4S,5R)-5-methyl-4-(4-methylphenyl)sulfonyl-4,5-dihydro-1,3-oxazole
CID 640335

Frequently Asked Questions

What is the IUPAC name of (4S)-2-[[(R)-(4-methylphenyl)sulfinyl]methyl]-4-propan-2-yl-4,5-dihydro-1,3-oxazole?
The IUPAC name of (4S)-2-[[(R)-(4-methylphenyl)sulfinyl]methyl]-4-propan-2-yl-4,5-dihydro-1,3-oxazole (CID 10515842) is (4S)-2-[[(R)-(4-methylphenyl)sulfinyl]methyl]-4-propan-2-yl-4,5-dihydro-1,3-oxazole.
What is the SMILES notation for (4S)-2-[[(R)-(4-methylphenyl)sulfinyl]methyl]-4-propan-2-yl-4,5-dihydro-1,3-oxazole?
The canonical SMILES for (4S)-2-[[(R)-(4-methylphenyl)sulfinyl]methyl]-4-propan-2-yl-4,5-dihydro-1,3-oxazole is Cc1ccc([S@](=O)CC2=N[C@@H](C(C)C)CO2)cc1.
What is the InChIKey of (4S)-2-[[(R)-(4-methylphenyl)sulfinyl]methyl]-4-propan-2-yl-4,5-dihydro-1,3-oxazole?
The InChIKey is WDBHBGHPPQCNLP-FZKQIMNGSA-N. The full InChI is InChI=1S/C14H19NO2S/c1-10(2)13-8-17-14(15-13)9-18(16)12-6-4-11(3)5-7-12/h4-7,10,13H,8-9H2,1-3H3/t13-,18-/m1/s1.
What are the key properties of (4S)-2-[[(R)-(4-methylphenyl)sulfinyl]methyl]-4-propan-2-yl-4,5-dihydro-1,3-oxazole?
(4S)-2-[[(R)-(4-methylphenyl)sulfinyl]methyl]-4-propan-2-yl-4,5-dihydro-1,3-oxazole has a molecular weight of 265.38 g/mol, XLogP of 2.56, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-2-[[(R)-(4-methylphenyl)sulfinyl]methyl]-4-propan-2-yl-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 10515842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).