N-[(4-methoxyphenyl)methyl]-N-[(1S)-1-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]ethyl]cyclopropanamine

C22H25N3O3 — CID 8770910

IUPACN-[(4-methoxyphenyl)methyl]-N-[(1S)-1-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]ethyl]cyclopropanamine
SMILESCOc1ccc(CN(C2CC2)[C@@H](C)c2nnc(-c3ccc(OC)cc3)o2)cc1
InChIInChI=1S/C22H25N3O3/c1-15(21-23-24-22(28-21)17-6-12-20(27-3)13-7-17)25(18-8-9-18)14-16-4-10-19(26-2)11-5-16/h4-7,10-13,15,18H,8-9,14H2,1-3H3/t15-/m0/s1
InChIKeyXHFMIIXZVNLPKK-HNNXBMFYSA-N
MW379.46 g/mol
LogP4.48
Rot. Bonds8

About N-[(4-methoxyphenyl)methyl]-N-[(1S)-1-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]ethyl]cyclopropanamine

N-[(4-methoxyphenyl)methyl]-N-[(1S)-1-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]ethyl]cyclopropanamine (PubChem CID 8770910) has the molecular formula C22H25N3O3 and a molecular weight of 379.46 g/mol. Its IUPAC name is N-[(4-methoxyphenyl)methyl]-N-[(1S)-1-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]ethyl]cyclopropanamine.

Molecular Properties

Compound NameN-[(4-methoxyphenyl)methyl]-N-[(1S)-1-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]ethyl]cyclopropanamine
PubChem CID8770910
Molecular FormulaC22H25N3O3
Molecular Weight379.46 g/mol
Exact Mass379.19
IUPAC NameN-[(4-methoxyphenyl)methyl]-N-[(1S)-1-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]ethyl]cyclopropanamine
SMILESCOc1ccc(CN(C2CC2)[C@@H](C)c2nnc(-c3ccc(OC)cc3)o2)cc1
InChIInChI=1S/C22H25N3O3/c1-15(21-23-24-22(28-21)17-6-12-20(27-3)13-7-17)25(18-8-9-18)14-16-4-10-19(26-2)11-5-16/h4-7,10-13,15,18H,8-9,14H2,1-3H3/t15-/m0/s1
InChIKeyXHFMIIXZVNLPKK-HNNXBMFYSA-N
XLogP4.48
TPSA60.62 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.46
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(4-methoxyphenyl)methyl]-N-propan-2-ylcyclopentanamine
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2-(4-methoxyphenyl)-5-[(1S)-1-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]ethyl]-1,3,4-oxadiazole
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2-(4-methoxyphenyl)-5-[1-(4-methoxypiperidin-1-yl)ethyl]-1,3,4-oxadiazole
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2-(1-bromopropyl)-5-(4-methoxyphenyl)-1,3,4-oxadiazole
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N,N-dibenzyl-1-cyclopenta-1,3-dien-1-yl-1-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methanamine
CID 139241762
4-methoxy-N-methyl-N-[[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]methyl]aniline
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CID 8770549
(1S)-1-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-N-methyl-N-[(2-morpholin-4-ylphenyl)methyl]ethanamine
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N-cyclopropyl-2-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-[(4-methoxyphenyl)methyl]acetamide
CID 9298644
N-cyclopropyl-2-[[5-(4-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-[(4-methoxyphenyl)methyl]acetamide
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2-[(1R)-1-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]ethyl]-5-(4-methoxyphenyl)-1,3,4-oxadiazole
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Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxyphenyl)methyl]-N-[(1S)-1-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]ethyl]cyclopropanamine?
The IUPAC name of N-[(4-methoxyphenyl)methyl]-N-[(1S)-1-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]ethyl]cyclopropanamine (CID 8770910) is N-[(4-methoxyphenyl)methyl]-N-[(1S)-1-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]ethyl]cyclopropanamine.
What is the SMILES notation for N-[(4-methoxyphenyl)methyl]-N-[(1S)-1-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]ethyl]cyclopropanamine?
The canonical SMILES for N-[(4-methoxyphenyl)methyl]-N-[(1S)-1-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]ethyl]cyclopropanamine is COc1ccc(CN(C2CC2)[C@@H](C)c2nnc(-c3ccc(OC)cc3)o2)cc1.
What is the InChIKey of N-[(4-methoxyphenyl)methyl]-N-[(1S)-1-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]ethyl]cyclopropanamine?
The InChIKey is XHFMIIXZVNLPKK-HNNXBMFYSA-N. The full InChI is InChI=1S/C22H25N3O3/c1-15(21-23-24-22(28-21)17-6-12-20(27-3)13-7-17)25(18-8-9-18)14-16-4-10-19(26-2)11-5-16/h4-7,10-13,15,18H,8-9,14H2,1-3H3/t15-/m0/s1.
What are the key properties of N-[(4-methoxyphenyl)methyl]-N-[(1S)-1-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]ethyl]cyclopropanamine?
N-[(4-methoxyphenyl)methyl]-N-[(1S)-1-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]ethyl]cyclopropanamine has a molecular weight of 379.46 g/mol, XLogP of 4.48, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxyphenyl)methyl]-N-[(1S)-1-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]ethyl]cyclopropanamine is sourced from PubChem (CID 8770910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).