2-tert-butyl-5-[2-(3,4-dihydro-2H-naphthalen-1-ylidene)hydrazinyl]-1,3-oxazole-4-carbonitrile

C18H20N4O — CID 71882484

IUPAC2-tert-butyl-5-[2-(3,4-dihydro-2H-naphthalen-1-ylidene)hydrazinyl]-1,3-oxazole-4-carbonitrile
SMILESCC(C)(C)c1nc(C#N)c(NN=C2CCCc3ccccc32)o1
InChIInChI=1S/C18H20N4O/c1-18(2,3)17-20-15(11-19)16(23-17)22-21-14-10-6-8-12-7-4-5-9-13(12)14/h4-5,7,9,22H,6,8,10H2,1-3H3
InChIKeyLEUDHCVDZIVHQH-UHFFFAOYSA-N
MW308.39 g/mol
LogP4.00
Rot. Bonds2

About 2-tert-butyl-5-[2-(3,4-dihydro-2H-naphthalen-1-ylidene)hydrazinyl]-1,3-oxazole-4-carbonitrile

2-tert-butyl-5-[2-(3,4-dihydro-2H-naphthalen-1-ylidene)hydrazinyl]-1,3-oxazole-4-carbonitrile (PubChem CID 71882484) has the molecular formula C18H20N4O and a molecular weight of 308.39 g/mol. Its IUPAC name is 2-tert-butyl-5-[2-(3,4-dihydro-2H-naphthalen-1-ylidene)hydrazinyl]-1,3-oxazole-4-carbonitrile.

Molecular Properties

Compound Name2-tert-butyl-5-[2-(3,4-dihydro-2H-naphthalen-1-ylidene)hydrazinyl]-1,3-oxazole-4-carbonitrile
PubChem CID71882484
Molecular FormulaC18H20N4O
Molecular Weight308.39 g/mol
Exact Mass308.16
IUPAC Name2-tert-butyl-5-[2-(3,4-dihydro-2H-naphthalen-1-ylidene)hydrazinyl]-1,3-oxazole-4-carbonitrile
SMILESCC(C)(C)c1nc(C#N)c(NN=C2CCCc3ccccc32)o1
InChIInChI=1S/C18H20N4O/c1-18(2,3)17-20-15(11-19)16(23-17)22-21-14-10-6-8-12-7-4-5-9-13(12)14/h4-5,7,9,22H,6,8,10H2,1-3H3
InChIKeyLEUDHCVDZIVHQH-UHFFFAOYSA-N
XLogP4.00
TPSA74.21 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.39
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-5-[2-(3,4-dihydro-2H-naphthalen-1-ylidene)hydrazinyl]-1,3-oxazole-4-carbonitrile?
The IUPAC name of 2-tert-butyl-5-[2-(3,4-dihydro-2H-naphthalen-1-ylidene)hydrazinyl]-1,3-oxazole-4-carbonitrile (CID 71882484) is 2-tert-butyl-5-[2-(3,4-dihydro-2H-naphthalen-1-ylidene)hydrazinyl]-1,3-oxazole-4-carbonitrile.
What is the SMILES notation for 2-tert-butyl-5-[2-(3,4-dihydro-2H-naphthalen-1-ylidene)hydrazinyl]-1,3-oxazole-4-carbonitrile?
The canonical SMILES for 2-tert-butyl-5-[2-(3,4-dihydro-2H-naphthalen-1-ylidene)hydrazinyl]-1,3-oxazole-4-carbonitrile is CC(C)(C)c1nc(C#N)c(NN=C2CCCc3ccccc32)o1.
What is the InChIKey of 2-tert-butyl-5-[2-(3,4-dihydro-2H-naphthalen-1-ylidene)hydrazinyl]-1,3-oxazole-4-carbonitrile?
The InChIKey is LEUDHCVDZIVHQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O/c1-18(2,3)17-20-15(11-19)16(23-17)22-21-14-10-6-8-12-7-4-5-9-13(12)14/h4-5,7,9,22H,6,8,10H2,1-3H3.
What are the key properties of 2-tert-butyl-5-[2-(3,4-dihydro-2H-naphthalen-1-ylidene)hydrazinyl]-1,3-oxazole-4-carbonitrile?
2-tert-butyl-5-[2-(3,4-dihydro-2H-naphthalen-1-ylidene)hydrazinyl]-1,3-oxazole-4-carbonitrile has a molecular weight of 308.39 g/mol, XLogP of 4.00, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-5-[2-(3,4-dihydro-2H-naphthalen-1-ylidene)hydrazinyl]-1,3-oxazole-4-carbonitrile is sourced from PubChem (CID 71882484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).