(1S)-N-[(1S)-1-(5-ethyl-1,3,4-oxadiazol-2-yl)ethyl]-1-(5-methoxy-3-methyl-1-benzofuran-2-yl)ethanamine

C18H23N3O3 — CID 97353548

IUPAC(1S)-N-[(1S)-1-(5-ethyl-1,3,4-oxadiazol-2-yl)ethyl]-1-(5-methoxy-3-methyl-1-benzofuran-2-yl)ethanamine
SMILESCCc1nnc([C@H](C)N[C@@H](C)c2oc3ccc(OC)cc3c2C)o1
InChIInChI=1S/C18H23N3O3/c1-6-16-20-21-18(24-16)12(4)19-11(3)17-10(2)14-9-13(22-5)7-8-15(14)23-17/h7-9,11-12,19H,6H2,1-5H3/t11-,12-/m0/s1
InChIKeyIHYNLKUXOTZSAR-RYUDHWBXSA-N
MW329.40 g/mol
LogP4.11
Rot. Bonds6

About (1S)-N-[(1S)-1-(5-ethyl-1,3,4-oxadiazol-2-yl)ethyl]-1-(5-methoxy-3-methyl-1-benzofuran-2-yl)ethanamine

(1S)-N-[(1S)-1-(5-ethyl-1,3,4-oxadiazol-2-yl)ethyl]-1-(5-methoxy-3-methyl-1-benzofuran-2-yl)ethanamine (PubChem CID 97353548) has the molecular formula C18H23N3O3 and a molecular weight of 329.40 g/mol. Its IUPAC name is (1S)-N-[(1S)-1-(5-ethyl-1,3,4-oxadiazol-2-yl)ethyl]-1-(5-methoxy-3-methyl-1-benzofuran-2-yl)ethanamine.

Molecular Properties

Compound Name(1S)-N-[(1S)-1-(5-ethyl-1,3,4-oxadiazol-2-yl)ethyl]-1-(5-methoxy-3-methyl-1-benzofuran-2-yl)ethanamine
PubChem CID97353548
Molecular FormulaC18H23N3O3
Molecular Weight329.40 g/mol
Exact Mass329.17
IUPAC Name(1S)-N-[(1S)-1-(5-ethyl-1,3,4-oxadiazol-2-yl)ethyl]-1-(5-methoxy-3-methyl-1-benzofuran-2-yl)ethanamine
SMILESCCc1nnc([C@H](C)N[C@@H](C)c2oc3ccc(OC)cc3c2C)o1
InChIInChI=1S/C18H23N3O3/c1-6-16-20-21-18(24-16)12(4)19-11(3)17-10(2)14-9-13(22-5)7-8-15(14)23-17/h7-9,11-12,19H,6H2,1-5H3/t11-,12-/m0/s1
InChIKeyIHYNLKUXOTZSAR-RYUDHWBXSA-N
XLogP4.11
TPSA73.32 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (1S)-N-[(1S)-1-(5-ethyl-1,3,4-oxadiazol-2-yl)ethyl]-1-(5-methoxy-3-methyl-1-benzofuran-2-yl)ethanamine?
The IUPAC name of (1S)-N-[(1S)-1-(5-ethyl-1,3,4-oxadiazol-2-yl)ethyl]-1-(5-methoxy-3-methyl-1-benzofuran-2-yl)ethanamine (CID 97353548) is (1S)-N-[(1S)-1-(5-ethyl-1,3,4-oxadiazol-2-yl)ethyl]-1-(5-methoxy-3-methyl-1-benzofuran-2-yl)ethanamine.
What is the SMILES notation for (1S)-N-[(1S)-1-(5-ethyl-1,3,4-oxadiazol-2-yl)ethyl]-1-(5-methoxy-3-methyl-1-benzofuran-2-yl)ethanamine?
The canonical SMILES for (1S)-N-[(1S)-1-(5-ethyl-1,3,4-oxadiazol-2-yl)ethyl]-1-(5-methoxy-3-methyl-1-benzofuran-2-yl)ethanamine is CCc1nnc([C@H](C)N[C@@H](C)c2oc3ccc(OC)cc3c2C)o1.
What is the InChIKey of (1S)-N-[(1S)-1-(5-ethyl-1,3,4-oxadiazol-2-yl)ethyl]-1-(5-methoxy-3-methyl-1-benzofuran-2-yl)ethanamine?
The InChIKey is IHYNLKUXOTZSAR-RYUDHWBXSA-N. The full InChI is InChI=1S/C18H23N3O3/c1-6-16-20-21-18(24-16)12(4)19-11(3)17-10(2)14-9-13(22-5)7-8-15(14)23-17/h7-9,11-12,19H,6H2,1-5H3/t11-,12-/m0/s1.
What are the key properties of (1S)-N-[(1S)-1-(5-ethyl-1,3,4-oxadiazol-2-yl)ethyl]-1-(5-methoxy-3-methyl-1-benzofuran-2-yl)ethanamine?
(1S)-N-[(1S)-1-(5-ethyl-1,3,4-oxadiazol-2-yl)ethyl]-1-(5-methoxy-3-methyl-1-benzofuran-2-yl)ethanamine has a molecular weight of 329.40 g/mol, XLogP of 4.11, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-N-[(1S)-1-(5-ethyl-1,3,4-oxadiazol-2-yl)ethyl]-1-(5-methoxy-3-methyl-1-benzofuran-2-yl)ethanamine is sourced from PubChem (CID 97353548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).