(E)-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclohexyl]-3-naphthalen-1-ylprop-2-enamide

C22H23N3O2 — CID 31164473

IUPAC(E)-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclohexyl]-3-naphthalen-1-ylprop-2-enamide
SMILESCc1nc(C2(NC(=O)/C=C/c3cccc4ccccc34)CCCCC2)no1
InChIInChI=1S/C22H23N3O2/c1-16-23-21(25-27-16)22(14-5-2-6-15-22)24-20(26)13-12-18-10-7-9-17-8-3-4-11-19(17)18/h3-4,7-13H,2,5-6,14-15H2,1H3,(H,24,26)/b13-12+
InChIKeyUUHXROAVQRPYFX-OUKQBFOZSA-N
MW361.45 g/mol
LogP4.52
Rot. Bonds4

About (E)-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclohexyl]-3-naphthalen-1-ylprop-2-enamide

(E)-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclohexyl]-3-naphthalen-1-ylprop-2-enamide (PubChem CID 31164473) has the molecular formula C22H23N3O2 and a molecular weight of 361.45 g/mol. Its IUPAC name is (E)-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclohexyl]-3-naphthalen-1-ylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclohexyl]-3-naphthalen-1-ylprop-2-enamide
PubChem CID31164473
Molecular FormulaC22H23N3O2
Molecular Weight361.45 g/mol
Exact Mass361.18
IUPAC Name(E)-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclohexyl]-3-naphthalen-1-ylprop-2-enamide
SMILESCc1nc(C2(NC(=O)/C=C/c3cccc4ccccc34)CCCCC2)no1
InChIInChI=1S/C22H23N3O2/c1-16-23-21(25-27-16)22(14-5-2-6-15-22)24-20(26)13-12-18-10-7-9-17-8-3-4-11-19(17)18/h3-4,7-13H,2,5-6,14-15H2,1H3,(H,24,26)/b13-12+
InChIKeyUUHXROAVQRPYFX-OUKQBFOZSA-N
XLogP4.52
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.45
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 (E)-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclohexyl]-3-naphthalen-1-ylprop-2-enamide?
The IUPAC name of (E)-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclohexyl]-3-naphthalen-1-ylprop-2-enamide (CID 31164473) is (E)-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclohexyl]-3-naphthalen-1-ylprop-2-enamide.
What is the SMILES notation for (E)-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclohexyl]-3-naphthalen-1-ylprop-2-enamide?
The canonical SMILES for (E)-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclohexyl]-3-naphthalen-1-ylprop-2-enamide is Cc1nc(C2(NC(=O)/C=C/c3cccc4ccccc34)CCCCC2)no1.
What is the InChIKey of (E)-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclohexyl]-3-naphthalen-1-ylprop-2-enamide?
The InChIKey is UUHXROAVQRPYFX-OUKQBFOZSA-N. The full InChI is InChI=1S/C22H23N3O2/c1-16-23-21(25-27-16)22(14-5-2-6-15-22)24-20(26)13-12-18-10-7-9-17-8-3-4-11-19(17)18/h3-4,7-13H,2,5-6,14-15H2,1H3,(H,24,26)/b13-12+.
What are the key properties of (E)-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclohexyl]-3-naphthalen-1-ylprop-2-enamide?
(E)-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclohexyl]-3-naphthalen-1-ylprop-2-enamide has a molecular weight of 361.45 g/mol, XLogP of 4.52, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclohexyl]-3-naphthalen-1-ylprop-2-enamide is sourced from PubChem (CID 31164473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).