5-[3-[(R)-(2-methylfuran-3-yl)sulfinyl]propyl]-3-phenyl-1,2,4-oxadiazole

C16H16N2O3S — CID 99833014

IUPAC5-[3-[(R)-(2-methylfuran-3-yl)sulfinyl]propyl]-3-phenyl-1,2,4-oxadiazole
SMILESCc1occc1[S@](=O)CCCc1nc(-c2ccccc2)no1
InChIInChI=1S/C16H16N2O3S/c1-12-14(9-10-20-12)22(19)11-5-8-15-17-16(18-21-15)13-6-3-2-4-7-13/h2-4,6-7,9-10H,5,8,11H2,1H3/t22-/m1/s1
InChIKeyUFZTUFXBRFCJSY-JOCHJYFZSA-N
MW316.38 g/mol
LogP3.38
Rot. Bonds6

About 5-[3-[(R)-(2-methylfuran-3-yl)sulfinyl]propyl]-3-phenyl-1,2,4-oxadiazole

5-[3-[(R)-(2-methylfuran-3-yl)sulfinyl]propyl]-3-phenyl-1,2,4-oxadiazole (PubChem CID 99833014) has the molecular formula C16H16N2O3S and a molecular weight of 316.38 g/mol. Its IUPAC name is 5-[3-[(R)-(2-methylfuran-3-yl)sulfinyl]propyl]-3-phenyl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[3-[(R)-(2-methylfuran-3-yl)sulfinyl]propyl]-3-phenyl-1,2,4-oxadiazole
PubChem CID99833014
Molecular FormulaC16H16N2O3S
Molecular Weight316.38 g/mol
Exact Mass316.09
IUPAC Name5-[3-[(R)-(2-methylfuran-3-yl)sulfinyl]propyl]-3-phenyl-1,2,4-oxadiazole
SMILESCc1occc1[S@](=O)CCCc1nc(-c2ccccc2)no1
InChIInChI=1S/C16H16N2O3S/c1-12-14(9-10-20-12)22(19)11-5-8-15-17-16(18-21-15)13-6-3-2-4-7-13/h2-4,6-7,9-10H,5,8,11H2,1H3/t22-/m1/s1
InChIKeyUFZTUFXBRFCJSY-JOCHJYFZSA-N
XLogP3.38
TPSA69.13 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.38
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-[3-[(R)-(4-methyl-1,3-thiazol-2-yl)sulfinyl]propyl]-3-phenyl-1,2,4-oxadiazole
CID 99832911
2-(3-phenyl-1,2,4-oxadiazol-5-yl)ethanesulfinate
CID 66972805
5-pentyl-3-phenyl-1,2,4-oxadiazole
CID 19658049
5-[3-(4,7-diethyl-1,4,7-triazonan-1-yl)propyl]-3-phenyl-1,2,4-oxadiazole
CID 166258341
3-(4-methylphenyl)-5-(3-phenoxypropyl)-1,2,4-oxadiazole
CID 2995458
2-methyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-N-prop-2-enylfuran-3-carboxamide
CID 6462831
2-methyl-4-(3-phenyl-1,2,4-oxadiazol-5-yl)butanoic acid
CID 174569483
1,1-dimethyl-3-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)propyl]urea
CID 110293678
2-methyl-4-(3-phenyl-1,2,4-oxadiazol-5-yl)butan-2-amine
CID 62047775
N-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)propyl]-2-thiophen-2-ylacetamide
CID 110293651
3-phenyl-5-[3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propyl]-1,2,4-oxadiazole
CID 52544370
2-(3-phenyl-1,2,4-oxadiazol-5-yl)acetic acid
CID 7017713

Frequently Asked Questions

What is the IUPAC name of 5-[3-[(R)-(2-methylfuran-3-yl)sulfinyl]propyl]-3-phenyl-1,2,4-oxadiazole?
The IUPAC name of 5-[3-[(R)-(2-methylfuran-3-yl)sulfinyl]propyl]-3-phenyl-1,2,4-oxadiazole (CID 99833014) is 5-[3-[(R)-(2-methylfuran-3-yl)sulfinyl]propyl]-3-phenyl-1,2,4-oxadiazole.
What is the SMILES notation for 5-[3-[(R)-(2-methylfuran-3-yl)sulfinyl]propyl]-3-phenyl-1,2,4-oxadiazole?
The canonical SMILES for 5-[3-[(R)-(2-methylfuran-3-yl)sulfinyl]propyl]-3-phenyl-1,2,4-oxadiazole is Cc1occc1[S@](=O)CCCc1nc(-c2ccccc2)no1.
What is the InChIKey of 5-[3-[(R)-(2-methylfuran-3-yl)sulfinyl]propyl]-3-phenyl-1,2,4-oxadiazole?
The InChIKey is UFZTUFXBRFCJSY-JOCHJYFZSA-N. The full InChI is InChI=1S/C16H16N2O3S/c1-12-14(9-10-20-12)22(19)11-5-8-15-17-16(18-21-15)13-6-3-2-4-7-13/h2-4,6-7,9-10H,5,8,11H2,1H3/t22-/m1/s1.
What are the key properties of 5-[3-[(R)-(2-methylfuran-3-yl)sulfinyl]propyl]-3-phenyl-1,2,4-oxadiazole?
5-[3-[(R)-(2-methylfuran-3-yl)sulfinyl]propyl]-3-phenyl-1,2,4-oxadiazole has a molecular weight of 316.38 g/mol, XLogP of 3.38, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-[(R)-(2-methylfuran-3-yl)sulfinyl]propyl]-3-phenyl-1,2,4-oxadiazole is sourced from PubChem (CID 99833014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).