3-(1-cyclopropyl-5-phenylimidazol-2-yl)sulfanyloxolan-2-one

C16H16N2O2S — CID 42897615

IUPAC3-(1-cyclopropyl-5-phenylimidazol-2-yl)sulfanyloxolan-2-one
SMILESO=C1OCCC1Sc1ncc(-c2ccccc2)n1C1CC1
InChIInChI=1S/C16H16N2O2S/c19-15-14(8-9-20-15)21-16-17-10-13(18(16)12-6-7-12)11-4-2-1-3-5-11/h1-5,10,12,14H,6-9H2
InChIKeyHODAEYMQOBMZFV-UHFFFAOYSA-N
MW300.38 g/mol
LogP3.29
Rot. Bonds4

About 3-(1-cyclopropyl-5-phenylimidazol-2-yl)sulfanyloxolan-2-one

3-(1-cyclopropyl-5-phenylimidazol-2-yl)sulfanyloxolan-2-one (PubChem CID 42897615) has the molecular formula C16H16N2O2S and a molecular weight of 300.38 g/mol. Its IUPAC name is 3-(1-cyclopropyl-5-phenylimidazol-2-yl)sulfanyloxolan-2-one.

Molecular Properties

Compound Name3-(1-cyclopropyl-5-phenylimidazol-2-yl)sulfanyloxolan-2-one
PubChem CID42897615
Molecular FormulaC16H16N2O2S
Molecular Weight300.38 g/mol
Exact Mass300.09
IUPAC Name3-(1-cyclopropyl-5-phenylimidazol-2-yl)sulfanyloxolan-2-one
SMILESO=C1OCCC1Sc1ncc(-c2ccccc2)n1C1CC1
InChIInChI=1S/C16H16N2O2S/c19-15-14(8-9-20-15)21-16-17-10-13(18(16)12-6-7-12)11-4-2-1-3-5-11/h1-5,10,12,14H,6-9H2
InChIKeyHODAEYMQOBMZFV-UHFFFAOYSA-N
XLogP3.29
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.38
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]oxolan-2-one
CID 17440325
(5S)-5-[(1-cyclopropyl-5-phenylimidazol-2-yl)sulfanylmethyl]-1,3-oxazolidin-2-one
CID 95271782
(5R)-5-[(1-cyclopropyl-5-phenylimidazol-2-yl)sulfanylmethyl]-1,3-oxazolidin-2-one
CID 95271783
3-(1-cyclopropyl-5-phenylimidazol-2-yl)sulfanylpropanamide
CID 18149523
(3R)-3-[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-ethylimidazol-2-yl]sulfanyloxolan-2-one
CID 94819417
(3R)-3-[[4-[(2S)-butan-2-yl]-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]oxolan-2-one
CID 94799292
(3S)-3-[(4-amino-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]oxolan-2-one
CID 2496599
(3R)-3-(5-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanyloxolan-2-one
CID 41013550
(3R)-3-[(4,5-diphenyl-1,3-oxazol-2-yl)sulfanyl]oxolan-2-one
CID 1289611
(3S)-3-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]oxolan-2-one
CID 2304233
(3R)-3-[[5-(4-chlorophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]oxolan-2-one
CID 2577569
2-(1-cyclopropyl-5-phenylimidazol-2-yl)sulfanyl-N-(methylcarbamoyl)acetamide
CID 17439573

Frequently Asked Questions

What is the IUPAC name of 3-(1-cyclopropyl-5-phenylimidazol-2-yl)sulfanyloxolan-2-one?
The IUPAC name of 3-(1-cyclopropyl-5-phenylimidazol-2-yl)sulfanyloxolan-2-one (CID 42897615) is 3-(1-cyclopropyl-5-phenylimidazol-2-yl)sulfanyloxolan-2-one.
What is the SMILES notation for 3-(1-cyclopropyl-5-phenylimidazol-2-yl)sulfanyloxolan-2-one?
The canonical SMILES for 3-(1-cyclopropyl-5-phenylimidazol-2-yl)sulfanyloxolan-2-one is O=C1OCCC1Sc1ncc(-c2ccccc2)n1C1CC1.
What is the InChIKey of 3-(1-cyclopropyl-5-phenylimidazol-2-yl)sulfanyloxolan-2-one?
The InChIKey is HODAEYMQOBMZFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O2S/c19-15-14(8-9-20-15)21-16-17-10-13(18(16)12-6-7-12)11-4-2-1-3-5-11/h1-5,10,12,14H,6-9H2.
What are the key properties of 3-(1-cyclopropyl-5-phenylimidazol-2-yl)sulfanyloxolan-2-one?
3-(1-cyclopropyl-5-phenylimidazol-2-yl)sulfanyloxolan-2-one has a molecular weight of 300.38 g/mol, XLogP of 3.29, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-cyclopropyl-5-phenylimidazol-2-yl)sulfanyloxolan-2-one is sourced from PubChem (CID 42897615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).