(3S)-3-[5-(cycloheptylmethyl)-1,2,4-oxadiazol-3-yl]morpholine

C14H23N3O2 — CID 97345709

IUPAC(3S)-3-[5-(cycloheptylmethyl)-1,2,4-oxadiazol-3-yl]morpholine
SMILESC1CCCC(Cc2nc([C@H]3COCCN3)no2)CC1
InChIInChI=1S/C14H23N3O2/c1-2-4-6-11(5-3-1)9-13-16-14(17-19-13)12-10-18-8-7-15-12/h11-12,15H,1-10H2/t12-/m1/s1
InChIKeyDFETXXCPXWCHFV-GFCCVEGCSA-N
MW265.36 g/mol
LogP2.24
Rot. Bonds3

About (3S)-3-[5-(cycloheptylmethyl)-1,2,4-oxadiazol-3-yl]morpholine

(3S)-3-[5-(cycloheptylmethyl)-1,2,4-oxadiazol-3-yl]morpholine (PubChem CID 97345709) has the molecular formula C14H23N3O2 and a molecular weight of 265.36 g/mol. Its IUPAC name is (3S)-3-[5-(cycloheptylmethyl)-1,2,4-oxadiazol-3-yl]morpholine.

Molecular Properties

Compound Name(3S)-3-[5-(cycloheptylmethyl)-1,2,4-oxadiazol-3-yl]morpholine
PubChem CID97345709
Molecular FormulaC14H23N3O2
Molecular Weight265.36 g/mol
Exact Mass265.18
IUPAC Name(3S)-3-[5-(cycloheptylmethyl)-1,2,4-oxadiazol-3-yl]morpholine
SMILESC1CCCC(Cc2nc([C@H]3COCCN3)no2)CC1
InChIInChI=1S/C14H23N3O2/c1-2-4-6-11(5-3-1)9-13-16-14(17-19-13)12-10-18-8-7-15-12/h11-12,15H,1-10H2/t12-/m1/s1
InChIKeyDFETXXCPXWCHFV-GFCCVEGCSA-N
XLogP2.24
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(cyclobutylmethyl)-3-piperidin-2-yl-1,2,4-oxadiazole
CID 104879874
5-(oxolan-3-ylmethyl)-3-pyrrolidin-2-yl-1,2,4-oxadiazole
CID 115077336
3-[5-(ethoxymethyl)-1,2,4-oxadiazol-3-yl]morpholine
CID 103971477
3-(5-methyl-1,2,4-oxadiazol-3-yl)morpholine
CID 75355392
3-piperidin-2-yl-5-(pyrrolidin-3-ylmethyl)-1,2,4-oxadiazole
CID 115077325
5-(azepan-4-ylmethyl)-3-(oxolan-3-yl)-1,2,4-oxadiazole;hydrochloride
CID 120842324
3-[5-[(2-methylphenyl)methyl]-1,2,4-oxadiazol-3-yl]morpholine;hydrochloride
CID 75484037
3-[5-(phenylsulfanylmethyl)-1,2,4-oxadiazol-3-yl]morpholine
CID 103971493
3-[5-(oxolan-3-yl)-1,2,4-oxadiazol-3-yl]morpholine
CID 103971742
3-cycloheptyl-5-[[(3R)-piperidin-3-yl]methyl]-1,2,4-oxadiazole
CID 96839705
3-[5-(thiolan-2-yl)-1,2,4-oxadiazol-3-yl]morpholine
CID 103971470
3-[5-(4-tert-butylcyclohexyl)-1,2,4-oxadiazol-3-yl]morpholine
CID 103971647

Frequently Asked Questions

What is the IUPAC name of (3S)-3-[5-(cycloheptylmethyl)-1,2,4-oxadiazol-3-yl]morpholine?
The IUPAC name of (3S)-3-[5-(cycloheptylmethyl)-1,2,4-oxadiazol-3-yl]morpholine (CID 97345709) is (3S)-3-[5-(cycloheptylmethyl)-1,2,4-oxadiazol-3-yl]morpholine.
What is the SMILES notation for (3S)-3-[5-(cycloheptylmethyl)-1,2,4-oxadiazol-3-yl]morpholine?
The canonical SMILES for (3S)-3-[5-(cycloheptylmethyl)-1,2,4-oxadiazol-3-yl]morpholine is C1CCCC(Cc2nc([C@H]3COCCN3)no2)CC1.
What is the InChIKey of (3S)-3-[5-(cycloheptylmethyl)-1,2,4-oxadiazol-3-yl]morpholine?
The InChIKey is DFETXXCPXWCHFV-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H23N3O2/c1-2-4-6-11(5-3-1)9-13-16-14(17-19-13)12-10-18-8-7-15-12/h11-12,15H,1-10H2/t12-/m1/s1.
What are the key properties of (3S)-3-[5-(cycloheptylmethyl)-1,2,4-oxadiazol-3-yl]morpholine?
(3S)-3-[5-(cycloheptylmethyl)-1,2,4-oxadiazol-3-yl]morpholine has a molecular weight of 265.36 g/mol, XLogP of 2.24, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-[5-(cycloheptylmethyl)-1,2,4-oxadiazol-3-yl]morpholine is sourced from PubChem (CID 97345709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).