N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-4-methyl-2-phenylpent-2-en-1-amine

C18H23N3O — CID 171139769

IUPACN-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-4-methyl-2-phenylpent-2-en-1-amine
SMILESCC(C)C=C(CNCc1noc(C2CC2)n1)c1ccccc1
InChIInChI=1S/C18H23N3O/c1-13(2)10-16(14-6-4-3-5-7-14)11-19-12-17-20-18(22-21-17)15-8-9-15/h3-7,10,13,15,19H,8-9,11-12H2,1-2H3
InChIKeyZKACEIPJTFIRPY-UHFFFAOYSA-N
MW297.40 g/mol
LogP3.78
Rot. Bonds7

About N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-4-methyl-2-phenylpent-2-en-1-amine

N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-4-methyl-2-phenylpent-2-en-1-amine (PubChem CID 171139769) has the molecular formula C18H23N3O and a molecular weight of 297.40 g/mol. Its IUPAC name is N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-4-methyl-2-phenylpent-2-en-1-amine.

Molecular Properties

Compound NameN-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-4-methyl-2-phenylpent-2-en-1-amine
PubChem CID171139769
Molecular FormulaC18H23N3O
Molecular Weight297.40 g/mol
Exact Mass297.18
IUPAC NameN-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-4-methyl-2-phenylpent-2-en-1-amine
SMILESCC(C)C=C(CNCc1noc(C2CC2)n1)c1ccccc1
InChIInChI=1S/C18H23N3O/c1-13(2)10-16(14-6-4-3-5-7-14)11-19-12-17-20-18(22-21-17)15-8-9-15/h3-7,10,13,15,19H,8-9,11-12H2,1-2H3
InChIKeyZKACEIPJTFIRPY-UHFFFAOYSA-N
XLogP3.78
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-4-methyl-2-phenylpent-2-en-1-amine?
The IUPAC name of N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-4-methyl-2-phenylpent-2-en-1-amine (CID 171139769) is N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-4-methyl-2-phenylpent-2-en-1-amine.
What is the SMILES notation for N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-4-methyl-2-phenylpent-2-en-1-amine?
The canonical SMILES for N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-4-methyl-2-phenylpent-2-en-1-amine is CC(C)C=C(CNCc1noc(C2CC2)n1)c1ccccc1.
What is the InChIKey of N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-4-methyl-2-phenylpent-2-en-1-amine?
The InChIKey is ZKACEIPJTFIRPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O/c1-13(2)10-16(14-6-4-3-5-7-14)11-19-12-17-20-18(22-21-17)15-8-9-15/h3-7,10,13,15,19H,8-9,11-12H2,1-2H3.
What are the key properties of N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-4-methyl-2-phenylpent-2-en-1-amine?
N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-4-methyl-2-phenylpent-2-en-1-amine has a molecular weight of 297.40 g/mol, XLogP of 3.78, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-4-methyl-2-phenylpent-2-en-1-amine is sourced from PubChem (CID 171139769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).