5-[(1S)-1-cyclopropylethyl]-3-(phenoxymethyl)-1,2,4-oxadiazole

C14H16N2O2 — CID 99818778

IUPAC5-[(1S)-1-cyclopropylethyl]-3-(phenoxymethyl)-1,2,4-oxadiazole
SMILESC[C@H](c1nc(COc2ccccc2)no1)C1CC1
InChIInChI=1S/C14H16N2O2/c1-10(11-7-8-11)14-15-13(16-18-14)9-17-12-5-3-2-4-6-12/h2-6,10-11H,7-9H2,1H3/t10-/m0/s1
InChIKeyRQONCZALMXNFDH-JTQLQIEISA-N
MW244.29 g/mol
LogP3.16
Rot. Bonds5

About 5-[(1S)-1-cyclopropylethyl]-3-(phenoxymethyl)-1,2,4-oxadiazole

5-[(1S)-1-cyclopropylethyl]-3-(phenoxymethyl)-1,2,4-oxadiazole (PubChem CID 99818778) has the molecular formula C14H16N2O2 and a molecular weight of 244.29 g/mol. Its IUPAC name is 5-[(1S)-1-cyclopropylethyl]-3-(phenoxymethyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[(1S)-1-cyclopropylethyl]-3-(phenoxymethyl)-1,2,4-oxadiazole
PubChem CID99818778
Molecular FormulaC14H16N2O2
Molecular Weight244.29 g/mol
Exact Mass244.12
IUPAC Name5-[(1S)-1-cyclopropylethyl]-3-(phenoxymethyl)-1,2,4-oxadiazole
SMILESC[C@H](c1nc(COc2ccccc2)no1)C1CC1
InChIInChI=1S/C14H16N2O2/c1-10(11-7-8-11)14-15-13(16-18-14)9-17-12-5-3-2-4-6-12/h2-6,10-11H,7-9H2,1H3/t10-/m0/s1
InChIKeyRQONCZALMXNFDH-JTQLQIEISA-N
XLogP3.16
TPSA48.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]pentan-2-amine
CID 63352262
4-methyl-3-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]pentan-2-ol
CID 63346014
1-cyclopropyl-N-methyl-2-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 63352086
N-methyl-2-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]pentan-3-amine
CID 63561258
3-(phenoxymethyl)-5-(1-piperazin-1-ylethyl)-1,2,4-oxadiazole
CID 62716190
5-propan-2-yl-3-[(4-propan-2-ylphenoxy)methyl]-1,2,4-oxadiazole
CID 63362147
(1R)-1-[4-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]ethanamine
CID 78933139
5-(oxan-4-yl)-3-(phenoxymethyl)-1,2,4-oxadiazole
CID 138999515
5-[(2R,5S)-5-methyloxolan-2-yl]-3-(phenoxymethyl)-1,2,4-oxadiazole
CID 129381348
(1R)-1-[3-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]ethanamine
CID 55188676
cis-(1S,3R)-3-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine
CID 106323295
5-(1-chloroethyl)-3-(2-phenoxyethyl)-1,2,4-oxadiazole
CID 43150191

Frequently Asked Questions

What is the IUPAC name of 5-[(1S)-1-cyclopropylethyl]-3-(phenoxymethyl)-1,2,4-oxadiazole?
The IUPAC name of 5-[(1S)-1-cyclopropylethyl]-3-(phenoxymethyl)-1,2,4-oxadiazole (CID 99818778) is 5-[(1S)-1-cyclopropylethyl]-3-(phenoxymethyl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-[(1S)-1-cyclopropylethyl]-3-(phenoxymethyl)-1,2,4-oxadiazole?
The canonical SMILES for 5-[(1S)-1-cyclopropylethyl]-3-(phenoxymethyl)-1,2,4-oxadiazole is C[C@H](c1nc(COc2ccccc2)no1)C1CC1.
What is the InChIKey of 5-[(1S)-1-cyclopropylethyl]-3-(phenoxymethyl)-1,2,4-oxadiazole?
The InChIKey is RQONCZALMXNFDH-JTQLQIEISA-N. The full InChI is InChI=1S/C14H16N2O2/c1-10(11-7-8-11)14-15-13(16-18-14)9-17-12-5-3-2-4-6-12/h2-6,10-11H,7-9H2,1H3/t10-/m0/s1.
What are the key properties of 5-[(1S)-1-cyclopropylethyl]-3-(phenoxymethyl)-1,2,4-oxadiazole?
5-[(1S)-1-cyclopropylethyl]-3-(phenoxymethyl)-1,2,4-oxadiazole has a molecular weight of 244.29 g/mol, XLogP of 3.16, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1S)-1-cyclopropylethyl]-3-(phenoxymethyl)-1,2,4-oxadiazole is sourced from PubChem (CID 99818778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).