3-(4-methoxyphenyl)-5-[[(3S)-3-propoxypiperidin-1-yl]methyl]-1,2,4-oxadiazole

C18H25N3O3 — CID 42383127

IUPAC3-(4-methoxyphenyl)-5-[[(3S)-3-propoxypiperidin-1-yl]methyl]-1,2,4-oxadiazole
SMILESCCCO[C@H]1CCCN(Cc2nc(-c3ccc(OC)cc3)no2)C1
InChIInChI=1S/C18H25N3O3/c1-3-11-23-16-5-4-10-21(12-16)13-17-19-18(20-24-17)14-6-8-15(22-2)9-7-14/h6-9,16H,3-5,10-13H2,1-2H3/t16-/m0/s1
InChIKeyIATMTFVQVIZMPT-INIZCTEOSA-N
MW331.42 g/mol
LogP3.14
Rot. Bonds7

About 3-(4-methoxyphenyl)-5-[[(3S)-3-propoxypiperidin-1-yl]methyl]-1,2,4-oxadiazole

3-(4-methoxyphenyl)-5-[[(3S)-3-propoxypiperidin-1-yl]methyl]-1,2,4-oxadiazole (PubChem CID 42383127) has the molecular formula C18H25N3O3 and a molecular weight of 331.42 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)-5-[[(3S)-3-propoxypiperidin-1-yl]methyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(4-methoxyphenyl)-5-[[(3S)-3-propoxypiperidin-1-yl]methyl]-1,2,4-oxadiazole
PubChem CID42383127
Molecular FormulaC18H25N3O3
Molecular Weight331.42 g/mol
Exact Mass331.19
IUPAC Name3-(4-methoxyphenyl)-5-[[(3S)-3-propoxypiperidin-1-yl]methyl]-1,2,4-oxadiazole
SMILESCCCO[C@H]1CCCN(Cc2nc(-c3ccc(OC)cc3)no2)C1
InChIInChI=1S/C18H25N3O3/c1-3-11-23-16-5-4-10-21(12-16)13-17-19-18(20-24-17)14-6-8-15(22-2)9-7-14/h6-9,16H,3-5,10-13H2,1-2H3/t16-/m0/s1
InChIKeyIATMTFVQVIZMPT-INIZCTEOSA-N
XLogP3.14
TPSA60.62 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(3R)-1-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidin-3-ol
CID 78963710
N-[[(3R)-1-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-3-yl]methyl]acetamide
CID 25369354
(3S)-N,N-diethyl-1-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-3-carboxamide
CID 42245790
(3R)-1-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidin-3-amine;hydrochloride
CID 119905454
N-[1-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-3-yl]acetamide
CID 87014515
N-cyclopropyl-1-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-3-carboxamide
CID 43930815
N-[(4-methoxyphenyl)methyl]-1-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methylpiperidine-3-carboxamide
CID 43930943
(3R)-1-[(2,4-dimethoxyphenyl)methyl]-3-propoxypiperidine
CID 99955836
(2R)-4-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-methylmorpholine
CID 33026890
4-methoxy-2-[(3-propoxypiperidin-1-yl)methyl]aniline
CID 115413955
[1-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-3-yl]-(4-methylpiperidin-1-yl)methanone
CID 43930774
1-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-4-amine;hydrochloride
CID 119908822

Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenyl)-5-[[(3S)-3-propoxypiperidin-1-yl]methyl]-1,2,4-oxadiazole?
The IUPAC name of 3-(4-methoxyphenyl)-5-[[(3S)-3-propoxypiperidin-1-yl]methyl]-1,2,4-oxadiazole (CID 42383127) is 3-(4-methoxyphenyl)-5-[[(3S)-3-propoxypiperidin-1-yl]methyl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-(4-methoxyphenyl)-5-[[(3S)-3-propoxypiperidin-1-yl]methyl]-1,2,4-oxadiazole?
The canonical SMILES for 3-(4-methoxyphenyl)-5-[[(3S)-3-propoxypiperidin-1-yl]methyl]-1,2,4-oxadiazole is CCCO[C@H]1CCCN(Cc2nc(-c3ccc(OC)cc3)no2)C1.
What is the InChIKey of 3-(4-methoxyphenyl)-5-[[(3S)-3-propoxypiperidin-1-yl]methyl]-1,2,4-oxadiazole?
The InChIKey is IATMTFVQVIZMPT-INIZCTEOSA-N. The full InChI is InChI=1S/C18H25N3O3/c1-3-11-23-16-5-4-10-21(12-16)13-17-19-18(20-24-17)14-6-8-15(22-2)9-7-14/h6-9,16H,3-5,10-13H2,1-2H3/t16-/m0/s1.
What are the key properties of 3-(4-methoxyphenyl)-5-[[(3S)-3-propoxypiperidin-1-yl]methyl]-1,2,4-oxadiazole?
3-(4-methoxyphenyl)-5-[[(3S)-3-propoxypiperidin-1-yl]methyl]-1,2,4-oxadiazole has a molecular weight of 331.42 g/mol, XLogP of 3.14, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyphenyl)-5-[[(3S)-3-propoxypiperidin-1-yl]methyl]-1,2,4-oxadiazole is sourced from PubChem (CID 42383127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).