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

C14H22N2O2 — CID 97436910

IUPAC5-(2-cyclohexylethyl)-3-[(3R)-oxolan-3-yl]-1,2,4-oxadiazole
SMILESC1CCC(CCc2nc([C@H]3CCOC3)no2)CC1
InChIInChI=1S/C14H22N2O2/c1-2-4-11(5-3-1)6-7-13-15-14(16-18-13)12-8-9-17-10-12/h11-12H,1-10H2/t12-/m0/s1
InChIKeyDBCUBJQGTVPTMN-LBPRGKRZSA-N
MW250.34 g/mol
LogP3.09
Rot. Bonds4

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

5-(2-cyclohexylethyl)-3-[(3R)-oxolan-3-yl]-1,2,4-oxadiazole (PubChem CID 97436910) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is 5-(2-cyclohexylethyl)-3-[(3R)-oxolan-3-yl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(2-cyclohexylethyl)-3-[(3R)-oxolan-3-yl]-1,2,4-oxadiazole
PubChem CID97436910
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name5-(2-cyclohexylethyl)-3-[(3R)-oxolan-3-yl]-1,2,4-oxadiazole
SMILESC1CCC(CCc2nc([C@H]3CCOC3)no2)CC1
InChIInChI=1S/C14H22N2O2/c1-2-4-11(5-3-1)6-7-13-15-14(16-18-13)12-8-9-17-10-12/h11-12H,1-10H2/t12-/m0/s1
InChIKeyDBCUBJQGTVPTMN-LBPRGKRZSA-N
XLogP3.09
TPSA48.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-(oxolan-3-yl)-5-(2-piperidin-4-ylethyl)-1,2,4-oxadiazole;hydrochloride
CID 120842339
5-[3-(azepan-1-yl)propyl]-3-[(3R)-oxolan-3-yl]-1,2,4-oxadiazole
CID 97434091
3-cycloheptyl-5-(2-piperidin-4-ylethyl)-1,2,4-oxadiazole
CID 65389519
N-[2-[3-(oxolan-3-yl)-1,2,4-oxadiazol-5-yl]ethyl]cyclopropanamine
CID 65329990
5-(oxan-2-ylmethyl)-3-(oxolan-3-yl)-1,2,4-oxadiazole
CID 119163349
6-[3-(oxolan-3-yl)-1,2,4-oxadiazol-5-yl]hexan-1-amine
CID 65330439
2-[[3-(oxolan-3-yl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexan-1-amine
CID 106483485
2-methyl-1-[3-(oxolan-3-yl)-1,2,4-oxadiazol-5-yl]propan-2-amine
CID 65330336
5-(azepan-4-ylmethyl)-3-(oxolan-3-yl)-1,2,4-oxadiazole;hydrochloride
CID 120842324
4-[2-[3-[(3R)-oxolan-3-yl]-1,2,4-oxadiazol-5-yl]ethyl]phenol
CID 97444140
1-[3-[3-(oxolan-3-yl)-1,2,4-oxadiazol-5-yl]propyl]pyrrolidin-2-one
CID 72861593
3-[3-(oxan-3-yl)-1,2,4-oxadiazol-5-yl]propanenitrile
CID 106524881

Frequently Asked Questions

What is the IUPAC name of 5-(2-cyclohexylethyl)-3-[(3R)-oxolan-3-yl]-1,2,4-oxadiazole?
The IUPAC name of 5-(2-cyclohexylethyl)-3-[(3R)-oxolan-3-yl]-1,2,4-oxadiazole (CID 97436910) is 5-(2-cyclohexylethyl)-3-[(3R)-oxolan-3-yl]-1,2,4-oxadiazole.
What is the SMILES notation for 5-(2-cyclohexylethyl)-3-[(3R)-oxolan-3-yl]-1,2,4-oxadiazole?
The canonical SMILES for 5-(2-cyclohexylethyl)-3-[(3R)-oxolan-3-yl]-1,2,4-oxadiazole is C1CCC(CCc2nc([C@H]3CCOC3)no2)CC1.
What is the InChIKey of 5-(2-cyclohexylethyl)-3-[(3R)-oxolan-3-yl]-1,2,4-oxadiazole?
The InChIKey is DBCUBJQGTVPTMN-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-2-4-11(5-3-1)6-7-13-15-14(16-18-13)12-8-9-17-10-12/h11-12H,1-10H2/t12-/m0/s1.
What are the key properties of 5-(2-cyclohexylethyl)-3-[(3R)-oxolan-3-yl]-1,2,4-oxadiazole?
5-(2-cyclohexylethyl)-3-[(3R)-oxolan-3-yl]-1,2,4-oxadiazole has a molecular weight of 250.34 g/mol, XLogP of 3.09, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-cyclohexylethyl)-3-[(3R)-oxolan-3-yl]-1,2,4-oxadiazole is sourced from PubChem (CID 97436910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).