4-(cyclohexylmethyl)-3-ethyl-1,2,4-oxadiazol-5-one

C11H18N2O2 — CID 142465624

IUPAC4-(cyclohexylmethyl)-3-ethyl-1,2,4-oxadiazol-5-one
SMILESCCc1noc(=O)n1CC1CCCCC1
InChIInChI=1S/C11H18N2O2/c1-2-10-12-15-11(14)13(10)8-9-6-4-3-5-7-9/h9H,2-8H2,1H3
InChIKeyLCKCDWYFLAMXEI-UHFFFAOYSA-N
MW210.28 g/mol
LogP1.98
Rot. Bonds3

About 4-(cyclohexylmethyl)-3-ethyl-1,2,4-oxadiazol-5-one

4-(cyclohexylmethyl)-3-ethyl-1,2,4-oxadiazol-5-one (PubChem CID 142465624) has the molecular formula C11H18N2O2 and a molecular weight of 210.28 g/mol. Its IUPAC name is 4-(cyclohexylmethyl)-3-ethyl-1,2,4-oxadiazol-5-one.

Molecular Properties

Compound Name4-(cyclohexylmethyl)-3-ethyl-1,2,4-oxadiazol-5-one
PubChem CID142465624
Molecular FormulaC11H18N2O2
Molecular Weight210.28 g/mol
Exact Mass210.14
IUPAC Name4-(cyclohexylmethyl)-3-ethyl-1,2,4-oxadiazol-5-one
SMILESCCc1noc(=O)n1CC1CCCCC1
InChIInChI=1S/C11H18N2O2/c1-2-10-12-15-11(14)13(10)8-9-6-4-3-5-7-9/h9H,2-8H2,1H3
InChIKeyLCKCDWYFLAMXEI-UHFFFAOYSA-N
XLogP1.98
TPSA48.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-(Cyclohexylmethyl)-3-[(4,4-difluorocyclohexyl)methyl]-1,2,4-oxadiazol-5-one
CID 135368851
4-(Cyclohexylmethyl)-3-[(3,3-difluorocyclopentyl)methyl]-1,2,4-oxadiazol-5-one
CID 135371189
4-[(4,4-Difluorocyclohexyl)methyl]-3-[(3,3-difluorocyclopentyl)methyl]-1,2,4-oxadiazol-5-one
CID 135371888
9-ethyl-6,7,8,9-tetrahydro-5H-[1,2,4]oxadiazolo[4,3-a]azepin-3-one
CID 10154330
5,6,7,8-tetrahydro-5-(4-pentyl)-3H-[1,2,4]oxadiazolo[4,3-a]pyridin-3-one
CID 23500572
6,7-di(propan-2-yl)-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]oxadiazol-3-one
CID 134531860
3,4-Bis(cyclohexylmethyl)-1,2,4-oxadiazol-5-one
CID 135368956
4-(Cyclohexylmethyl)-3-methyl-1,2,4-oxadiazol-5-one
CID 142465645
1-[2-(3-Ethyl-5-oxo-1,2,4-oxadiazol-4-yl)ethyl]cyclohexane-1-carbonitrile
CID 166301461
3-Cyclopropyl-4-hexyl-1,2,4-oxadiazol-5-one
CID 166301466
3-Methyl-4-(2,4,4-trimethylpentyl)-1,2,4-oxadiazol-5-one
CID 167806429

Frequently Asked Questions

What is the IUPAC name of 4-(cyclohexylmethyl)-3-ethyl-1,2,4-oxadiazol-5-one?
The IUPAC name of 4-(cyclohexylmethyl)-3-ethyl-1,2,4-oxadiazol-5-one (CID 142465624) is 4-(cyclohexylmethyl)-3-ethyl-1,2,4-oxadiazol-5-one.
What is the SMILES notation for 4-(cyclohexylmethyl)-3-ethyl-1,2,4-oxadiazol-5-one?
The canonical SMILES for 4-(cyclohexylmethyl)-3-ethyl-1,2,4-oxadiazol-5-one is CCc1noc(=O)n1CC1CCCCC1.
What is the InChIKey of 4-(cyclohexylmethyl)-3-ethyl-1,2,4-oxadiazol-5-one?
The InChIKey is LCKCDWYFLAMXEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2/c1-2-10-12-15-11(14)13(10)8-9-6-4-3-5-7-9/h9H,2-8H2,1H3.
What are the key properties of 4-(cyclohexylmethyl)-3-ethyl-1,2,4-oxadiazol-5-one?
4-(cyclohexylmethyl)-3-ethyl-1,2,4-oxadiazol-5-one has a molecular weight of 210.28 g/mol, XLogP of 1.98, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclohexylmethyl)-3-ethyl-1,2,4-oxadiazol-5-one is sourced from PubChem (CID 142465624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).