(3R)-3-[(4,5-diphenyl-1,3-oxazol-2-yl)sulfanyl]oxolan-2-one

C19H15NO3S — CID 1289611

IUPAC(3R)-3-[(4,5-diphenyl-1,3-oxazol-2-yl)sulfanyl]oxolan-2-one
SMILESO=C1OCC[C@H]1Sc1nc(-c2ccccc2)c(-c2ccccc2)o1
InChIInChI=1S/C19H15NO3S/c21-18-15(11-12-22-18)24-19-20-16(13-7-3-1-4-8-13)17(23-19)14-9-5-2-6-10-14/h1-10,15H,11-12H2/t15-/m1/s1
InChIKeyRTWXQWVWRRRBND-OAHLLOKOSA-N
MW337.40 g/mol
LogP4.42
Rot. Bonds4

About (3R)-3-[(4,5-diphenyl-1,3-oxazol-2-yl)sulfanyl]oxolan-2-one

(3R)-3-[(4,5-diphenyl-1,3-oxazol-2-yl)sulfanyl]oxolan-2-one (PubChem CID 1289611) has the molecular formula C19H15NO3S and a molecular weight of 337.40 g/mol. Its IUPAC name is (3R)-3-[(4,5-diphenyl-1,3-oxazol-2-yl)sulfanyl]oxolan-2-one.

Molecular Properties

Compound Name(3R)-3-[(4,5-diphenyl-1,3-oxazol-2-yl)sulfanyl]oxolan-2-one
PubChem CID1289611
Molecular FormulaC19H15NO3S
Molecular Weight337.40 g/mol
Exact Mass337.08
IUPAC Name(3R)-3-[(4,5-diphenyl-1,3-oxazol-2-yl)sulfanyl]oxolan-2-one
SMILESO=C1OCC[C@H]1Sc1nc(-c2ccccc2)c(-c2ccccc2)o1
InChIInChI=1S/C19H15NO3S/c21-18-15(11-12-22-18)24-19-20-16(13-7-3-1-4-8-13)17(23-19)14-9-5-2-6-10-14/h1-10,15H,11-12H2/t15-/m1/s1
InChIKeyRTWXQWVWRRRBND-OAHLLOKOSA-N
XLogP4.42
TPSA52.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.40
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(3R,5S)-3-[(4,5-diphenyl-1,3-oxazol-2-yl)sulfanyl]-5-methyloxolan-2-one
CID 9451345
3-(1,3-benzoxazol-2-ylsulfanyl)oxolan-2-one
CID 2948558
(3S)-3-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]oxolan-2-one
CID 2304233
3-[(5-naphthalen-1-yl-1,3,4-oxadiazol-2-yl)sulfanyl]oxolan-2-one
CID 4313904
2-(oxolan-2-ylmethylsulfanyl)-4,5-diphenyl-1,3-oxazole
CID 43834769
3-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]oxolan-2-one
CID 17440325
(3R)-3-(2-methylquinazolin-4-yl)sulfanyloxolan-2-one
CID 7145391
(3S)-3-[[5-(2-nitrophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]oxolan-2-one
CID 975525
3-(2,6-dichlorophenyl)sulfanyloxolan-2-one
CID 51072328
3-(1-cyclopropyl-5-phenylimidazol-2-yl)sulfanyloxolan-2-one
CID 42897615
(3S)-3-(3-methylquinoxalin-2-yl)sulfanyloxolan-2-one
CID 35501475
4,5-diphenyl-2-[(2-phenyl-1,3-dioxolan-2-yl)sulfanyl]-1,3-oxazole
CID 134065804

Frequently Asked Questions

What is the IUPAC name of (3R)-3-[(4,5-diphenyl-1,3-oxazol-2-yl)sulfanyl]oxolan-2-one?
The IUPAC name of (3R)-3-[(4,5-diphenyl-1,3-oxazol-2-yl)sulfanyl]oxolan-2-one (CID 1289611) is (3R)-3-[(4,5-diphenyl-1,3-oxazol-2-yl)sulfanyl]oxolan-2-one.
What is the SMILES notation for (3R)-3-[(4,5-diphenyl-1,3-oxazol-2-yl)sulfanyl]oxolan-2-one?
The canonical SMILES for (3R)-3-[(4,5-diphenyl-1,3-oxazol-2-yl)sulfanyl]oxolan-2-one is O=C1OCC[C@H]1Sc1nc(-c2ccccc2)c(-c2ccccc2)o1.
What is the InChIKey of (3R)-3-[(4,5-diphenyl-1,3-oxazol-2-yl)sulfanyl]oxolan-2-one?
The InChIKey is RTWXQWVWRRRBND-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H15NO3S/c21-18-15(11-12-22-18)24-19-20-16(13-7-3-1-4-8-13)17(23-19)14-9-5-2-6-10-14/h1-10,15H,11-12H2/t15-/m1/s1.
What are the key properties of (3R)-3-[(4,5-diphenyl-1,3-oxazol-2-yl)sulfanyl]oxolan-2-one?
(3R)-3-[(4,5-diphenyl-1,3-oxazol-2-yl)sulfanyl]oxolan-2-one has a molecular weight of 337.40 g/mol, XLogP of 4.42, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[(4,5-diphenyl-1,3-oxazol-2-yl)sulfanyl]oxolan-2-one is sourced from PubChem (CID 1289611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).