1-[5-[(E)-2-(3-methoxy-4-propan-2-yloxyphenyl)ethenyl]-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine

C18H25N3O3 — CID 120865999

IUPAC1-[5-[(E)-2-(3-methoxy-4-propan-2-yloxyphenyl)ethenyl]-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine
SMILESCNC(C)Cc1noc(/C=C/c2ccc(OC(C)C)c(OC)c2)n1
InChIInChI=1S/C18H25N3O3/c1-12(2)23-15-8-6-14(11-16(15)22-5)7-9-18-20-17(21-24-18)10-13(3)19-4/h6-9,11-13,19H,10H2,1-5H3/b9-7+
InChIKeyVQFMDHHMXIQIMR-VQHVLOKHSA-N
MW331.42 g/mol
LogP3.19
Rot. Bonds8

About 1-[5-[(E)-2-(3-methoxy-4-propan-2-yloxyphenyl)ethenyl]-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine

1-[5-[(E)-2-(3-methoxy-4-propan-2-yloxyphenyl)ethenyl]-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine (PubChem CID 120865999) has the molecular formula C18H25N3O3 and a molecular weight of 331.42 g/mol. Its IUPAC name is 1-[5-[(E)-2-(3-methoxy-4-propan-2-yloxyphenyl)ethenyl]-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine.

Molecular Properties

Compound Name1-[5-[(E)-2-(3-methoxy-4-propan-2-yloxyphenyl)ethenyl]-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine
PubChem CID120865999
Molecular FormulaC18H25N3O3
Molecular Weight331.42 g/mol
Exact Mass331.19
IUPAC Name1-[5-[(E)-2-(3-methoxy-4-propan-2-yloxyphenyl)ethenyl]-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine
SMILESCNC(C)Cc1noc(/C=C/c2ccc(OC(C)C)c(OC)c2)n1
InChIInChI=1S/C18H25N3O3/c1-12(2)23-15-8-6-14(11-16(15)22-5)7-9-18-20-17(21-24-18)10-13(3)19-4/h6-9,11-13,19H,10H2,1-5H3/b9-7+
InChIKeyVQFMDHHMXIQIMR-VQHVLOKHSA-N
XLogP3.19
TPSA69.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[5-[(E)-2-(5-bromo-2-methoxyphenyl)ethenyl]-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine;hydrochloride
CID 120867848
1-[5-[(E)-2-(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)ethenyl]-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine
CID 120869132
5-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-3-octyl-1,2,4-oxadiazole
CID 53374537
3-[(3,4-dimethoxyphenyl)methyl]-5-[2-(4-methylphenyl)ethenyl]-1,2,4-oxadiazole
CID 15995429
N-methyl-1-[5-(2-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]propan-2-amine
CID 120867072
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CID 67396842
1-[4-[(E)-2-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]ethenyl]phenyl]pyrrolidin-2-one
CID 120867240
1-[5-[(E)-2-[3-methoxy-4-(2-methylpropoxy)phenyl]ethenyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride
CID 120862907
5-[(E)-2-(4-methoxy-3-nitrophenyl)ethenyl]-3-propyl-1,2,4-oxadiazole
CID 53374250
2-amino-4-[5-[2-(4-methoxyphenyl)ethenyl]-1,2,4-oxadiazol-3-yl]-3-methylbutan-1-ol;hydrochloride
CID 67585074
2-methoxy-4-[(Z)-2-nitroprop-1-enyl]-1-propan-2-yloxybenzene
CID 55016683
1-[5-[(E)-2-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]ethenyl]-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine;hydrochloride
CID 120866765

Frequently Asked Questions

What is the IUPAC name of 1-[5-[(E)-2-(3-methoxy-4-propan-2-yloxyphenyl)ethenyl]-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine?
The IUPAC name of 1-[5-[(E)-2-(3-methoxy-4-propan-2-yloxyphenyl)ethenyl]-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine (CID 120865999) is 1-[5-[(E)-2-(3-methoxy-4-propan-2-yloxyphenyl)ethenyl]-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine.
What is the SMILES notation for 1-[5-[(E)-2-(3-methoxy-4-propan-2-yloxyphenyl)ethenyl]-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine?
The canonical SMILES for 1-[5-[(E)-2-(3-methoxy-4-propan-2-yloxyphenyl)ethenyl]-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine is CNC(C)Cc1noc(/C=C/c2ccc(OC(C)C)c(OC)c2)n1.
What is the InChIKey of 1-[5-[(E)-2-(3-methoxy-4-propan-2-yloxyphenyl)ethenyl]-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine?
The InChIKey is VQFMDHHMXIQIMR-VQHVLOKHSA-N. The full InChI is InChI=1S/C18H25N3O3/c1-12(2)23-15-8-6-14(11-16(15)22-5)7-9-18-20-17(21-24-18)10-13(3)19-4/h6-9,11-13,19H,10H2,1-5H3/b9-7+.
What are the key properties of 1-[5-[(E)-2-(3-methoxy-4-propan-2-yloxyphenyl)ethenyl]-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine?
1-[5-[(E)-2-(3-methoxy-4-propan-2-yloxyphenyl)ethenyl]-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine has a molecular weight of 331.42 g/mol, XLogP of 3.19, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[(E)-2-(3-methoxy-4-propan-2-yloxyphenyl)ethenyl]-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine is sourced from PubChem (CID 120865999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).