(E)-3-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]pent-2-en-1-amine

C14H17N3O — CID 122596131

IUPAC(E)-3-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]pent-2-en-1-amine
SMILESCC/C(=C\CN)c1ccc(-c2nnc(C)o2)cc1
InChIInChI=1S/C14H17N3O/c1-3-11(8-9-15)12-4-6-13(7-5-12)14-17-16-10(2)18-14/h4-8H,3,9,15H2,1-2H3/b11-8+
InChIKeyZOSKHNBQCMKLJR-DHZHZOJOSA-N
MW243.31 g/mol
LogP2.80
Rot. Bonds4

About (E)-3-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]pent-2-en-1-amine

(E)-3-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]pent-2-en-1-amine (PubChem CID 122596131) has the molecular formula C14H17N3O and a molecular weight of 243.31 g/mol. Its IUPAC name is (E)-3-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]pent-2-en-1-amine.

Molecular Properties

Compound Name(E)-3-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]pent-2-en-1-amine
PubChem CID122596131
Molecular FormulaC14H17N3O
Molecular Weight243.31 g/mol
Exact Mass243.14
IUPAC Name(E)-3-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]pent-2-en-1-amine
SMILESCC/C(=C\CN)c1ccc(-c2nnc(C)o2)cc1
InChIInChI=1S/C14H17N3O/c1-3-11(8-9-15)12-4-6-13(7-5-12)14-17-16-10(2)18-14/h4-8H,3,9,15H2,1-2H3/b11-8+
InChIKeyZOSKHNBQCMKLJR-DHZHZOJOSA-N
XLogP2.80
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1,3,4-Oxadiazole, 2-5-diphenyl-
CID 12888
1,3,4-Oxadiazole, 2-phenyl-
CID 13217
2-(4-Methylphenyl)-5-phenyl-1,3,4-oxadiazole
CID 259997
2,5-Bis(4-methylphenyl)-1,3,4-oxadiazole
CID 17227
2-Biphenyl-4-yl-5-phenyl-1,3,4-oxadiazole
CID 70065
2-(4-Biphenylyl)-5-(4-tert-butylphenyl)-1,3,4-oxadiazole
CID 84782
N-cyclopropyl-2',6-dimethyl-4'-(5-methyl-1,3,4-oxadiazol-2-yl)biphenyl-3-carboxamide
CID 10089048
N-(cyclopropylmethyl)-2'-methyl-5'-(5-methyl-1,3,4-oxadiazol-2-yl)biphenyl-4-carboxamide
CID 21078798
2-Benzyl-5-phenyl-1,3,4-oxadiazole
CID 800230
5-(4-Methylphenyl)-1,3,4-oxadiazol-2-amine
CID 356898
2,5-Bis((1,1'-biphenyl)-4-yl)-1,3,4-oxadiazole
CID 96840
N-benzyl-4-[2-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]benzamide
CID 25093465

Frequently Asked Questions

What is the IUPAC name of (E)-3-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]pent-2-en-1-amine?
The IUPAC name of (E)-3-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]pent-2-en-1-amine (CID 122596131) is (E)-3-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]pent-2-en-1-amine.
What is the SMILES notation for (E)-3-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]pent-2-en-1-amine?
The canonical SMILES for (E)-3-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]pent-2-en-1-amine is CC/C(=C\CN)c1ccc(-c2nnc(C)o2)cc1.
What is the InChIKey of (E)-3-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]pent-2-en-1-amine?
The InChIKey is ZOSKHNBQCMKLJR-DHZHZOJOSA-N. The full InChI is InChI=1S/C14H17N3O/c1-3-11(8-9-15)12-4-6-13(7-5-12)14-17-16-10(2)18-14/h4-8H,3,9,15H2,1-2H3/b11-8+.
What are the key properties of (E)-3-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]pent-2-en-1-amine?
(E)-3-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]pent-2-en-1-amine has a molecular weight of 243.31 g/mol, XLogP of 2.80, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]pent-2-en-1-amine is sourced from PubChem (CID 122596131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).