N-[(E)-3-phenylprop-2-enyl]-N-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]cyclopropanamine

C18H23N3O — CID 91834181

IUPACN-[(E)-3-phenylprop-2-enyl]-N-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]cyclopropanamine
SMILESCC(C)c1nnc(CN(C/C=C/c2ccccc2)C2CC2)o1
InChIInChI=1S/C18H23N3O/c1-14(2)18-20-19-17(22-18)13-21(16-10-11-16)12-6-9-15-7-4-3-5-8-15/h3-9,14,16H,10-13H2,1-2H3/b9-6+
InChIKeyRWBQUTJJSZZDEE-RMKNXTFCSA-N
MW297.40 g/mol
LogP3.87
Rot. Bonds7

About N-[(E)-3-phenylprop-2-enyl]-N-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]cyclopropanamine

N-[(E)-3-phenylprop-2-enyl]-N-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]cyclopropanamine (PubChem CID 91834181) has the molecular formula C18H23N3O and a molecular weight of 297.40 g/mol. Its IUPAC name is N-[(E)-3-phenylprop-2-enyl]-N-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[(E)-3-phenylprop-2-enyl]-N-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]cyclopropanamine
PubChem CID91834181
Molecular FormulaC18H23N3O
Molecular Weight297.40 g/mol
Exact Mass297.18
IUPAC NameN-[(E)-3-phenylprop-2-enyl]-N-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]cyclopropanamine
SMILESCC(C)c1nnc(CN(C/C=C/c2ccccc2)C2CC2)o1
InChIInChI=1S/C18H23N3O/c1-14(2)18-20-19-17(22-18)13-21(16-10-11-16)12-6-9-15-7-4-3-5-8-15/h3-9,14,16H,10-13H2,1-2H3/b9-6+
InChIKeyRWBQUTJJSZZDEE-RMKNXTFCSA-N
XLogP3.87
TPSA42.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(E)-3-phenylprop-2-enyl]-N-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]cyclopropanamine?
The IUPAC name of N-[(E)-3-phenylprop-2-enyl]-N-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]cyclopropanamine (CID 91834181) is N-[(E)-3-phenylprop-2-enyl]-N-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]cyclopropanamine.
What is the SMILES notation for N-[(E)-3-phenylprop-2-enyl]-N-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]cyclopropanamine?
The canonical SMILES for N-[(E)-3-phenylprop-2-enyl]-N-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]cyclopropanamine is CC(C)c1nnc(CN(C/C=C/c2ccccc2)C2CC2)o1.
What is the InChIKey of N-[(E)-3-phenylprop-2-enyl]-N-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]cyclopropanamine?
The InChIKey is RWBQUTJJSZZDEE-RMKNXTFCSA-N. The full InChI is InChI=1S/C18H23N3O/c1-14(2)18-20-19-17(22-18)13-21(16-10-11-16)12-6-9-15-7-4-3-5-8-15/h3-9,14,16H,10-13H2,1-2H3/b9-6+.
What are the key properties of N-[(E)-3-phenylprop-2-enyl]-N-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]cyclopropanamine?
N-[(E)-3-phenylprop-2-enyl]-N-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]cyclopropanamine has a molecular weight of 297.40 g/mol, XLogP of 3.87, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-3-phenylprop-2-enyl]-N-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]cyclopropanamine is sourced from PubChem (CID 91834181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).