4-methyl-2-phenylsulfanyl-4,5-dihydro-1,3-oxazole

C10H11NOS — CID 132508763

IUPAC4-methyl-2-phenylsulfanyl-4,5-dihydro-1,3-oxazole
SMILESCC1COC(Sc2ccccc2)=N1
InChIInChI=1S/C10H11NOS/c1-8-7-12-10(11-8)13-9-5-3-2-4-6-9/h2-6,8H,7H2,1H3
InChIKeyCGRUZASVZGHMCH-UHFFFAOYSA-N
MW193.27 g/mol
LogP2.55
Rot. Bonds1

About 4-methyl-2-phenylsulfanyl-4,5-dihydro-1,3-oxazole

4-methyl-2-phenylsulfanyl-4,5-dihydro-1,3-oxazole (PubChem CID 132508763) has the molecular formula C10H11NOS and a molecular weight of 193.27 g/mol. Its IUPAC name is 4-methyl-2-phenylsulfanyl-4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name4-methyl-2-phenylsulfanyl-4,5-dihydro-1,3-oxazole
PubChem CID132508763
Molecular FormulaC10H11NOS
Molecular Weight193.27 g/mol
Exact Mass193.06
IUPAC Name4-methyl-2-phenylsulfanyl-4,5-dihydro-1,3-oxazole
SMILESCC1COC(Sc2ccccc2)=N1
InChIInChI=1S/C10H11NOS/c1-8-7-12-10(11-8)13-9-5-3-2-4-6-9/h2-6,8H,7H2,1H3
InChIKeyCGRUZASVZGHMCH-UHFFFAOYSA-N
XLogP2.55
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 ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(R)-4-Phenylsulfanylmethyl-4,5-dihydro-oxazol-2-ylamine
CID 59323832
(r,s)-2-Methyl-5-phenylsulfanylmethyl-4,5-dihydro-oxazole
CID 14220961
1-phenylsulfanyl-N-propan-2-ylmethanimidoyl chloride
CID 134989291
O-ethyl S-phenyl cyclohexylcarbonimidothioate
CID 146036169
2-(3,5-Difluorophenyl)sulfanyl-4-methyl-4,5-dihydro-1,3-oxazole
CID 132508771
4,4-Dimethyl-2-(phenylsulfanyl)-4,5-dihydro-1,3-oxazole
CID 13047578
2-Phenylsulfanyl-4,5-dihydro-1,3-oxazole
CID 19356306
2-(4-Methylphenyl)sulfanyl-4,5-dihydro-1,3-oxazole
CID 20781139
(2-Azido-3-methoxypropyl)sulfanylbenzene
CID 22730019
4-(Phenylsulfanylmethyl)-4,5-dihydro-1,3-oxazol-2-amine
CID 68713759
(2R)-1-methoxy-3-phenylsulfanylpropan-2-amine
CID 88972306
[(4S)-2-methyl-4,5-dihydro-1,3-oxazol-4-yl]methanol;methylsulfanylbenzene
CID 141941395

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-phenylsulfanyl-4,5-dihydro-1,3-oxazole?
The IUPAC name of 4-methyl-2-phenylsulfanyl-4,5-dihydro-1,3-oxazole (CID 132508763) is 4-methyl-2-phenylsulfanyl-4,5-dihydro-1,3-oxazole.
What is the SMILES notation for 4-methyl-2-phenylsulfanyl-4,5-dihydro-1,3-oxazole?
The canonical SMILES for 4-methyl-2-phenylsulfanyl-4,5-dihydro-1,3-oxazole is CC1COC(Sc2ccccc2)=N1.
What is the InChIKey of 4-methyl-2-phenylsulfanyl-4,5-dihydro-1,3-oxazole?
The InChIKey is CGRUZASVZGHMCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NOS/c1-8-7-12-10(11-8)13-9-5-3-2-4-6-9/h2-6,8H,7H2,1H3.
What are the key properties of 4-methyl-2-phenylsulfanyl-4,5-dihydro-1,3-oxazole?
4-methyl-2-phenylsulfanyl-4,5-dihydro-1,3-oxazole has a molecular weight of 193.27 g/mol, XLogP of 2.55, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-phenylsulfanyl-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 132508763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).