4-[3-(1-ethoxycyclohexyl)-1,2,4-oxadiazol-5-yl]-3-hydroxybutanenitrile

C14H21N3O3 — CID 106527668

IUPAC4-[3-(1-ethoxycyclohexyl)-1,2,4-oxadiazol-5-yl]-3-hydroxybutanenitrile
SMILESCCOC1(c2noc(CC(O)CC#N)n2)CCCCC1
InChIInChI=1S/C14H21N3O3/c1-2-19-14(7-4-3-5-8-14)13-16-12(20-17-13)10-11(18)6-9-15/h11,18H,2-8,10H2,1H3
InChIKeyWJKMNMCSHPVBFB-UHFFFAOYSA-N
MW279.34 g/mol
LogP2.08
Rot. Bonds6

About 4-[3-(1-ethoxycyclohexyl)-1,2,4-oxadiazol-5-yl]-3-hydroxybutanenitrile

4-[3-(1-ethoxycyclohexyl)-1,2,4-oxadiazol-5-yl]-3-hydroxybutanenitrile (PubChem CID 106527668) has the molecular formula C14H21N3O3 and a molecular weight of 279.34 g/mol. Its IUPAC name is 4-[3-(1-ethoxycyclohexyl)-1,2,4-oxadiazol-5-yl]-3-hydroxybutanenitrile.

Molecular Properties

Compound Name4-[3-(1-ethoxycyclohexyl)-1,2,4-oxadiazol-5-yl]-3-hydroxybutanenitrile
PubChem CID106527668
Molecular FormulaC14H21N3O3
Molecular Weight279.34 g/mol
Exact Mass279.16
IUPAC Name4-[3-(1-ethoxycyclohexyl)-1,2,4-oxadiazol-5-yl]-3-hydroxybutanenitrile
SMILESCCOC1(c2noc(CC(O)CC#N)n2)CCCCC1
InChIInChI=1S/C14H21N3O3/c1-2-19-14(7-4-3-5-8-14)13-16-12(20-17-13)10-11(18)6-9-15/h11,18H,2-8,10H2,1H3
InChIKeyWJKMNMCSHPVBFB-UHFFFAOYSA-N
XLogP2.08
TPSA92.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[3-(1-ethoxycyclohexyl)-1,2,4-oxadiazol-5-yl]-4-methylpentan-2-amine
CID 116781245
1-[3-(1-ethoxycyclohexyl)-1,2,4-oxadiazol-5-yl]-3-methoxy-N-methylpropan-2-amine
CID 116781267
1-[3-(1-ethoxy-3-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]-3-methoxypropan-2-ol
CID 116780825
4-[3-(1-ethoxycyclopentyl)-1,2,4-oxadiazol-5-yl]butan-1-ol
CID 116781658
4-[3-(1-ethoxy-4,4-dimethylcyclohexyl)-1,2,4-oxadiazol-5-yl]butanenitrile
CID 106527106
1-[3-(1-methoxycyclohexyl)-1,2,4-oxadiazol-5-yl]-3-methylbutan-2-ol
CID 116780703
2-[[3-(1-ethoxycycloheptyl)-1,2,4-oxadiazol-5-yl]methylamino]acetamide
CID 107436752
3-[3-(1-ethoxycyclopentyl)-1,2,4-oxadiazol-5-yl]-1,1,1-trifluoropropan-2-one
CID 116780288
1-cyclopropyl-2-[3-(1-ethoxy-3-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]ethanol
CID 116780837
2-[3-(1-ethoxycyclohexyl)-1,2,4-oxadiazol-5-yl]cyclopropane-1-carbonitrile
CID 106527661
4-[3-(azepan-1-yl)-1,2,4-oxadiazol-5-yl]-3-hydroxybutanenitrile
CID 106527519
3-amino-1-[3-(1-ethoxycyclopentyl)-1,2,4-oxadiazol-5-yl]propan-1-ol
CID 107837325

Frequently Asked Questions

What is the IUPAC name of 4-[3-(1-ethoxycyclohexyl)-1,2,4-oxadiazol-5-yl]-3-hydroxybutanenitrile?
The IUPAC name of 4-[3-(1-ethoxycyclohexyl)-1,2,4-oxadiazol-5-yl]-3-hydroxybutanenitrile (CID 106527668) is 4-[3-(1-ethoxycyclohexyl)-1,2,4-oxadiazol-5-yl]-3-hydroxybutanenitrile.
What is the SMILES notation for 4-[3-(1-ethoxycyclohexyl)-1,2,4-oxadiazol-5-yl]-3-hydroxybutanenitrile?
The canonical SMILES for 4-[3-(1-ethoxycyclohexyl)-1,2,4-oxadiazol-5-yl]-3-hydroxybutanenitrile is CCOC1(c2noc(CC(O)CC#N)n2)CCCCC1.
What is the InChIKey of 4-[3-(1-ethoxycyclohexyl)-1,2,4-oxadiazol-5-yl]-3-hydroxybutanenitrile?
The InChIKey is WJKMNMCSHPVBFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3/c1-2-19-14(7-4-3-5-8-14)13-16-12(20-17-13)10-11(18)6-9-15/h11,18H,2-8,10H2,1H3.
What are the key properties of 4-[3-(1-ethoxycyclohexyl)-1,2,4-oxadiazol-5-yl]-3-hydroxybutanenitrile?
4-[3-(1-ethoxycyclohexyl)-1,2,4-oxadiazol-5-yl]-3-hydroxybutanenitrile has a molecular weight of 279.34 g/mol, XLogP of 2.08, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(1-ethoxycyclohexyl)-1,2,4-oxadiazol-5-yl]-3-hydroxybutanenitrile is sourced from PubChem (CID 106527668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).