(E)-N-[1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]-3-(2-methoxyphenyl)prop-2-en-1-amine

C18H25N3O2 — CID 119138665

IUPAC(E)-N-[1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]-3-(2-methoxyphenyl)prop-2-en-1-amine
SMILESCOc1ccccc1/C=C/CNC(C)c1nc(C(C)(C)C)no1
InChIInChI=1S/C18H25N3O2/c1-13(16-20-17(21-23-16)18(2,3)4)19-12-8-10-14-9-6-7-11-15(14)22-5/h6-11,13,19H,12H2,1-5H3/b10-8+
InChIKeyVTUVKPLIBQXVSY-CSKARUKUSA-N
MW315.42 g/mol
LogP3.74
Rot. Bonds6

About (E)-N-[1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]-3-(2-methoxyphenyl)prop-2-en-1-amine

(E)-N-[1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]-3-(2-methoxyphenyl)prop-2-en-1-amine (PubChem CID 119138665) has the molecular formula C18H25N3O2 and a molecular weight of 315.42 g/mol. Its IUPAC name is (E)-N-[1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]-3-(2-methoxyphenyl)prop-2-en-1-amine.

Molecular Properties

Compound Name(E)-N-[1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]-3-(2-methoxyphenyl)prop-2-en-1-amine
PubChem CID119138665
Molecular FormulaC18H25N3O2
Molecular Weight315.42 g/mol
Exact Mass315.19
IUPAC Name(E)-N-[1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]-3-(2-methoxyphenyl)prop-2-en-1-amine
SMILESCOc1ccccc1/C=C/CNC(C)c1nc(C(C)(C)C)no1
InChIInChI=1S/C18H25N3O2/c1-13(16-20-17(21-23-16)18(2,3)4)19-12-8-10-14-9-6-7-11-15(14)22-5/h6-11,13,19H,12H2,1-5H3/b10-8+
InChIKeyVTUVKPLIBQXVSY-CSKARUKUSA-N
XLogP3.74
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-[[4-(2-methoxyphenyl)phenyl]methyl]ethanamine
CID 119138687
1-[tert-butyl(dimethyl)silyl]oxy-N-[(E)-3-(2-methoxyphenyl)prop-2-enyl]propan-2-amine
CID 142701134
N-[3-(2-methoxyphenyl)prop-2-enyl]butan-2-amine
CID 4542946
[(1S)-1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl] 2-(2-methoxyanilino)acetate
CID 95347851
3-tert-butyl-5-[(1S)-1-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-1,2,4-oxadiazole
CID 37201829
(2S)-N-[(E)-3-(2-methoxyphenyl)prop-2-enyl]-1-(4-methylpyrazol-1-yl)propan-2-amine
CID 95290661
(Z)-3-(2-methoxyphenyl)-N-[(1R)-1-[(2S)-oxolan-2-yl]ethyl]prop-2-en-1-amine
CID 98474954
1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-[(1-phenylcyclopentyl)methyl]ethanamine
CID 55629821
N-(2-methoxyethyl)-3-(2-methoxyphenyl)prop-2-en-1-amine
CID 78918220
1-[[(E)-3-(2-methoxyphenyl)prop-2-enyl]amino]-3-methylpentan-2-ol
CID 111119048
(E)-3-chloro-N-[(1S)-1-(2-methoxyphenyl)ethyl]prop-2-en-1-amine
CID 107900160
2-[[(E)-3-(2-methoxyphenyl)prop-2-enyl]amino]pentanoic acid
CID 120509471

Frequently Asked Questions

What is the IUPAC name of (E)-N-[1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]-3-(2-methoxyphenyl)prop-2-en-1-amine?
The IUPAC name of (E)-N-[1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]-3-(2-methoxyphenyl)prop-2-en-1-amine (CID 119138665) is (E)-N-[1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]-3-(2-methoxyphenyl)prop-2-en-1-amine.
What is the SMILES notation for (E)-N-[1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]-3-(2-methoxyphenyl)prop-2-en-1-amine?
The canonical SMILES for (E)-N-[1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]-3-(2-methoxyphenyl)prop-2-en-1-amine is COc1ccccc1/C=C/CNC(C)c1nc(C(C)(C)C)no1.
What is the InChIKey of (E)-N-[1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]-3-(2-methoxyphenyl)prop-2-en-1-amine?
The InChIKey is VTUVKPLIBQXVSY-CSKARUKUSA-N. The full InChI is InChI=1S/C18H25N3O2/c1-13(16-20-17(21-23-16)18(2,3)4)19-12-8-10-14-9-6-7-11-15(14)22-5/h6-11,13,19H,12H2,1-5H3/b10-8+.
What are the key properties of (E)-N-[1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]-3-(2-methoxyphenyl)prop-2-en-1-amine?
(E)-N-[1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]-3-(2-methoxyphenyl)prop-2-en-1-amine has a molecular weight of 315.42 g/mol, XLogP of 3.74, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]-3-(2-methoxyphenyl)prop-2-en-1-amine is sourced from PubChem (CID 119138665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).