5-(4-ethylphenyl)-3-[(3R)-oxolan-3-yl]-1,2,4-oxadiazole

C14H16N2O2 — CID 97443285

IUPAC5-(4-ethylphenyl)-3-[(3R)-oxolan-3-yl]-1,2,4-oxadiazole
SMILESCCc1ccc(-c2nc([C@H]3CCOC3)no2)cc1
InChIInChI=1S/C14H16N2O2/c1-2-10-3-5-11(6-4-10)14-15-13(16-18-14)12-7-8-17-9-12/h3-6,12H,2,7-9H2,1H3/t12-/m0/s1
InChIKeyDYRNRNNDOUQNNQ-LBPRGKRZSA-N
MW244.29 g/mol
LogP2.80
Rot. Bonds3

About 5-(4-ethylphenyl)-3-[(3R)-oxolan-3-yl]-1,2,4-oxadiazole

5-(4-ethylphenyl)-3-[(3R)-oxolan-3-yl]-1,2,4-oxadiazole (PubChem CID 97443285) has the molecular formula C14H16N2O2 and a molecular weight of 244.29 g/mol. Its IUPAC name is 5-(4-ethylphenyl)-3-[(3R)-oxolan-3-yl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(4-ethylphenyl)-3-[(3R)-oxolan-3-yl]-1,2,4-oxadiazole
PubChem CID97443285
Molecular FormulaC14H16N2O2
Molecular Weight244.29 g/mol
Exact Mass244.12
IUPAC Name5-(4-ethylphenyl)-3-[(3R)-oxolan-3-yl]-1,2,4-oxadiazole
SMILESCCc1ccc(-c2nc([C@H]3CCOC3)no2)cc1
InChIInChI=1S/C14H16N2O2/c1-2-10-3-5-11(6-4-10)14-15-13(16-18-14)12-7-8-17-9-12/h3-6,12H,2,7-9H2,1H3/t12-/m0/s1
InChIKeyDYRNRNNDOUQNNQ-LBPRGKRZSA-N
XLogP2.80
TPSA48.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-(4-ethoxyphenyl)-3-(oxolan-3-yl)-1,2,4-oxadiazole
CID 72925037
5-(4-methylsulfonylphenyl)-3-[(3R)-oxolan-3-yl]-1,2,4-oxadiazole
CID 97437627
5-[3-(oxolan-3-yl)-1,2,4-oxadiazol-5-yl]pyridin-2-amine
CID 65329882
4-[3-[(3S)-oxolan-3-yl]-1,2,4-oxadiazol-5-yl]-N-propylbenzenesulfonamide
CID 97443354
3-[(3R)-oxolan-3-yl]-5-(4-pyrrolidin-1-ylphenyl)-1,2,4-oxadiazole
CID 97455442
5-(6-ethyl-2-methylquinolin-4-yl)-3-[(3S)-oxolan-3-yl]-1,2,4-oxadiazole
CID 97437705
N,N-dimethyl-1-[3-[3-(oxolan-3-yl)-1,2,4-oxadiazol-5-yl]phenyl]methanamine
CID 72892117
N,N-dimethyl-1-[3-[3-[(3S)-oxolan-3-yl]-1,2,4-oxadiazol-5-yl]phenyl]methanamine
CID 97444607
5-(furan-3-yl)-3-[(3R)-oxolan-3-yl]-1,2,4-oxadiazole
CID 97018511
3-[(3R)-oxolan-3-yl]-5-quinoxalin-6-yl-1,2,4-oxadiazole
CID 97436994
2-bromo-5-[3-(oxolan-3-yl)-1,2,4-oxadiazol-5-yl]aniline
CID 107813760
N,N-dimethyl-3-[3-[(3S)-oxolan-3-yl]-1,2,4-oxadiazol-5-yl]aniline
CID 97433611

Frequently Asked Questions

What is the IUPAC name of 5-(4-ethylphenyl)-3-[(3R)-oxolan-3-yl]-1,2,4-oxadiazole?
The IUPAC name of 5-(4-ethylphenyl)-3-[(3R)-oxolan-3-yl]-1,2,4-oxadiazole (CID 97443285) is 5-(4-ethylphenyl)-3-[(3R)-oxolan-3-yl]-1,2,4-oxadiazole.
What is the SMILES notation for 5-(4-ethylphenyl)-3-[(3R)-oxolan-3-yl]-1,2,4-oxadiazole?
The canonical SMILES for 5-(4-ethylphenyl)-3-[(3R)-oxolan-3-yl]-1,2,4-oxadiazole is CCc1ccc(-c2nc([C@H]3CCOC3)no2)cc1.
What is the InChIKey of 5-(4-ethylphenyl)-3-[(3R)-oxolan-3-yl]-1,2,4-oxadiazole?
The InChIKey is DYRNRNNDOUQNNQ-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H16N2O2/c1-2-10-3-5-11(6-4-10)14-15-13(16-18-14)12-7-8-17-9-12/h3-6,12H,2,7-9H2,1H3/t12-/m0/s1.
What are the key properties of 5-(4-ethylphenyl)-3-[(3R)-oxolan-3-yl]-1,2,4-oxadiazole?
5-(4-ethylphenyl)-3-[(3R)-oxolan-3-yl]-1,2,4-oxadiazole has a molecular weight of 244.29 g/mol, XLogP of 2.80, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-ethylphenyl)-3-[(3R)-oxolan-3-yl]-1,2,4-oxadiazole is sourced from PubChem (CID 97443285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).