2-(4-methylphenyl)sulfanyl-4,5-dihydro-1,3-oxazole

C10H11NOS — CID 20781139

IUPAC2-(4-methylphenyl)sulfanyl-4,5-dihydro-1,3-oxazole
SMILESCc1ccc(SC2=NCCO2)cc1
InChIInChI=1S/C10H11NOS/c1-8-2-4-9(5-3-8)13-10-11-6-7-12-10/h2-5H,6-7H2,1H3
InChIKeyNXXJQRPLWCBIRF-UHFFFAOYSA-N
MW193.27 g/mol
LogP2.47
Rot. Bonds1

About 2-(4-methylphenyl)sulfanyl-4,5-dihydro-1,3-oxazole

2-(4-methylphenyl)sulfanyl-4,5-dihydro-1,3-oxazole (PubChem CID 20781139) has the molecular formula C10H11NOS and a molecular weight of 193.27 g/mol. Its IUPAC name is 2-(4-methylphenyl)sulfanyl-4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name2-(4-methylphenyl)sulfanyl-4,5-dihydro-1,3-oxazole
PubChem CID20781139
Molecular FormulaC10H11NOS
Molecular Weight193.27 g/mol
Exact Mass193.06
IUPAC Name2-(4-methylphenyl)sulfanyl-4,5-dihydro-1,3-oxazole
SMILESCc1ccc(SC2=NCCO2)cc1
InChIInChI=1S/C10H11NOS/c1-8-2-4-9(5-3-8)13-10-11-6-7-12-10/h2-5H,6-7H2,1H3
InChIKeyNXXJQRPLWCBIRF-UHFFFAOYSA-N
XLogP2.47
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.27
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[(E)-2-(4-methylphenyl)sulfonylethenyl]sulfonylmethyl]-4,5-dihydro-1,3-oxazole
CID 46837862
2-Benzylsulfanyl-4,5-dihydro-1,3-oxazole
CID 14269241
2-Benzylsulfanyl-5-methoxy-4,5-dihydro-1,3-thiazole
CID 15156774
Tosyloxazoline
CID 22170067
2-benzylsulfanyl-4,4-dimethyl-5H-1,3-oxazole
CID 12276225
(4R)-4-methyl-2-[(E)-3-phenylprop-2-enyl]sulfanyl-4,5-dihydro-1,3-oxazole
CID 134854674
Ethyl 2-[[chloro-(4-methylphenyl)sulfanylmethylidene]amino]acetate
CID 134891607
1-(4-methylphenyl)sulfanyl-N-propan-2-ylmethanimidoyl chloride
CID 134989120
(E)-N-(1-methoxyethyl)-1-(4-methylphenyl)sulfonylmethanimine
CID 135050895
[2-(4-Ethyl-phenylsulfanylcarbonyloxy)-ethyl]-trimethyl-ammonium; chloride
CID 10638189
4,4-Dimethyl-2-(phenylsulfanyl)-4,5-dihydro-1,3-oxazole
CID 13047578
2-Phenylsulfanyl-4,5-dihydro-1,3-oxazole
CID 19356306

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylphenyl)sulfanyl-4,5-dihydro-1,3-oxazole?
The IUPAC name of 2-(4-methylphenyl)sulfanyl-4,5-dihydro-1,3-oxazole (CID 20781139) is 2-(4-methylphenyl)sulfanyl-4,5-dihydro-1,3-oxazole.
What is the SMILES notation for 2-(4-methylphenyl)sulfanyl-4,5-dihydro-1,3-oxazole?
The canonical SMILES for 2-(4-methylphenyl)sulfanyl-4,5-dihydro-1,3-oxazole is Cc1ccc(SC2=NCCO2)cc1.
What is the InChIKey of 2-(4-methylphenyl)sulfanyl-4,5-dihydro-1,3-oxazole?
The InChIKey is NXXJQRPLWCBIRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NOS/c1-8-2-4-9(5-3-8)13-10-11-6-7-12-10/h2-5H,6-7H2,1H3.
What are the key properties of 2-(4-methylphenyl)sulfanyl-4,5-dihydro-1,3-oxazole?
2-(4-methylphenyl)sulfanyl-4,5-dihydro-1,3-oxazole has a molecular weight of 193.27 g/mol, XLogP of 2.47, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylphenyl)sulfanyl-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 20781139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).