(5-methyl-1,3,4-oxadiazol-2-yl)methyl (E)-3-(9-ethylcarbazol-3-yl)prop-2-enoate

C21H19N3O3 — CID 35240480

IUPAC(5-methyl-1,3,4-oxadiazol-2-yl)methyl (E)-3-(9-ethylcarbazol-3-yl)prop-2-enoate
SMILESCCn1c2ccccc2c2cc(/C=C/C(=O)OCc3nnc(C)o3)ccc21
InChIInChI=1S/C21H19N3O3/c1-3-24-18-7-5-4-6-16(18)17-12-15(8-10-19(17)24)9-11-21(25)26-13-20-23-22-14(2)27-20/h4-12H,3,13H2,1-2H3/b11-9+
InChIKeyZPKBQXQLFIYTGM-PKNBQFBNSA-N
MW361.40 g/mol
LogP4.26
Rot. Bonds5

About (5-methyl-1,3,4-oxadiazol-2-yl)methyl (E)-3-(9-ethylcarbazol-3-yl)prop-2-enoate

(5-methyl-1,3,4-oxadiazol-2-yl)methyl (E)-3-(9-ethylcarbazol-3-yl)prop-2-enoate (PubChem CID 35240480) has the molecular formula C21H19N3O3 and a molecular weight of 361.40 g/mol. Its IUPAC name is (5-methyl-1,3,4-oxadiazol-2-yl)methyl (E)-3-(9-ethylcarbazol-3-yl)prop-2-enoate.

Molecular Properties

Compound Name(5-methyl-1,3,4-oxadiazol-2-yl)methyl (E)-3-(9-ethylcarbazol-3-yl)prop-2-enoate
PubChem CID35240480
Molecular FormulaC21H19N3O3
Molecular Weight361.40 g/mol
Exact Mass361.14
IUPAC Name(5-methyl-1,3,4-oxadiazol-2-yl)methyl (E)-3-(9-ethylcarbazol-3-yl)prop-2-enoate
SMILESCCn1c2ccccc2c2cc(/C=C/C(=O)OCc3nnc(C)o3)ccc21
InChIInChI=1S/C21H19N3O3/c1-3-24-18-7-5-4-6-16(18)17-12-15(8-10-19(17)24)9-11-21(25)26-13-20-23-22-14(2)27-20/h4-12H,3,13H2,1-2H3/b11-9+
InChIKeyZPKBQXQLFIYTGM-PKNBQFBNSA-N
XLogP4.26
TPSA70.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.40
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (5-methyl-1,3,4-oxadiazol-2-yl)methyl (E)-3-(9-ethylcarbazol-3-yl)prop-2-enoate?
The IUPAC name of (5-methyl-1,3,4-oxadiazol-2-yl)methyl (E)-3-(9-ethylcarbazol-3-yl)prop-2-enoate (CID 35240480) is (5-methyl-1,3,4-oxadiazol-2-yl)methyl (E)-3-(9-ethylcarbazol-3-yl)prop-2-enoate.
What is the SMILES notation for (5-methyl-1,3,4-oxadiazol-2-yl)methyl (E)-3-(9-ethylcarbazol-3-yl)prop-2-enoate?
The canonical SMILES for (5-methyl-1,3,4-oxadiazol-2-yl)methyl (E)-3-(9-ethylcarbazol-3-yl)prop-2-enoate is CCn1c2ccccc2c2cc(/C=C/C(=O)OCc3nnc(C)o3)ccc21.
What is the InChIKey of (5-methyl-1,3,4-oxadiazol-2-yl)methyl (E)-3-(9-ethylcarbazol-3-yl)prop-2-enoate?
The InChIKey is ZPKBQXQLFIYTGM-PKNBQFBNSA-N. The full InChI is InChI=1S/C21H19N3O3/c1-3-24-18-7-5-4-6-16(18)17-12-15(8-10-19(17)24)9-11-21(25)26-13-20-23-22-14(2)27-20/h4-12H,3,13H2,1-2H3/b11-9+.
What are the key properties of (5-methyl-1,3,4-oxadiazol-2-yl)methyl (E)-3-(9-ethylcarbazol-3-yl)prop-2-enoate?
(5-methyl-1,3,4-oxadiazol-2-yl)methyl (E)-3-(9-ethylcarbazol-3-yl)prop-2-enoate has a molecular weight of 361.40 g/mol, XLogP of 4.26, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methyl-1,3,4-oxadiazol-2-yl)methyl (E)-3-(9-ethylcarbazol-3-yl)prop-2-enoate is sourced from PubChem (CID 35240480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).