2-ethyl-5-[(2Z)-2-[(3-phenoxyphenyl)methylidene]hydrazinyl]-1,3-oxazole-4-carbonitrile

C19H16N4O2 — CID 35728131

IUPAC2-ethyl-5-[(2Z)-2-[(3-phenoxyphenyl)methylidene]hydrazinyl]-1,3-oxazole-4-carbonitrile
SMILESCCc1nc(C#N)c(N/N=C\c2cccc(Oc3ccccc3)c2)o1
InChIInChI=1S/C19H16N4O2/c1-2-18-22-17(12-20)19(25-18)23-21-13-14-7-6-10-16(11-14)24-15-8-4-3-5-9-15/h3-11,13,23H,2H2,1H3/b21-13-
InChIKeyCYPBEOKNYRJLEU-BKUYFWCQSA-N
MW332.36 g/mol
LogP4.35
Rot. Bonds6

About 2-ethyl-5-[(2Z)-2-[(3-phenoxyphenyl)methylidene]hydrazinyl]-1,3-oxazole-4-carbonitrile

2-ethyl-5-[(2Z)-2-[(3-phenoxyphenyl)methylidene]hydrazinyl]-1,3-oxazole-4-carbonitrile (PubChem CID 35728131) has the molecular formula C19H16N4O2 and a molecular weight of 332.36 g/mol. Its IUPAC name is 2-ethyl-5-[(2Z)-2-[(3-phenoxyphenyl)methylidene]hydrazinyl]-1,3-oxazole-4-carbonitrile.

Molecular Properties

Compound Name2-ethyl-5-[(2Z)-2-[(3-phenoxyphenyl)methylidene]hydrazinyl]-1,3-oxazole-4-carbonitrile
PubChem CID35728131
Molecular FormulaC19H16N4O2
Molecular Weight332.36 g/mol
Exact Mass332.13
IUPAC Name2-ethyl-5-[(2Z)-2-[(3-phenoxyphenyl)methylidene]hydrazinyl]-1,3-oxazole-4-carbonitrile
SMILESCCc1nc(C#N)c(N/N=C\c2cccc(Oc3ccccc3)c2)o1
InChIInChI=1S/C19H16N4O2/c1-2-18-22-17(12-20)19(25-18)23-21-13-14-7-6-10-16(11-14)24-15-8-4-3-5-9-15/h3-11,13,23H,2H2,1H3/b21-13-
InChIKeyCYPBEOKNYRJLEU-BKUYFWCQSA-N
XLogP4.35
TPSA83.44 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.36
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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-ethyl-5-[(2Z)-2-[(3-phenoxyphenyl)methylidene]hydrazinyl]-1,3-oxazole-4-carbonitrile?
The IUPAC name of 2-ethyl-5-[(2Z)-2-[(3-phenoxyphenyl)methylidene]hydrazinyl]-1,3-oxazole-4-carbonitrile (CID 35728131) is 2-ethyl-5-[(2Z)-2-[(3-phenoxyphenyl)methylidene]hydrazinyl]-1,3-oxazole-4-carbonitrile.
What is the SMILES notation for 2-ethyl-5-[(2Z)-2-[(3-phenoxyphenyl)methylidene]hydrazinyl]-1,3-oxazole-4-carbonitrile?
The canonical SMILES for 2-ethyl-5-[(2Z)-2-[(3-phenoxyphenyl)methylidene]hydrazinyl]-1,3-oxazole-4-carbonitrile is CCc1nc(C#N)c(N/N=C\c2cccc(Oc3ccccc3)c2)o1.
What is the InChIKey of 2-ethyl-5-[(2Z)-2-[(3-phenoxyphenyl)methylidene]hydrazinyl]-1,3-oxazole-4-carbonitrile?
The InChIKey is CYPBEOKNYRJLEU-BKUYFWCQSA-N. The full InChI is InChI=1S/C19H16N4O2/c1-2-18-22-17(12-20)19(25-18)23-21-13-14-7-6-10-16(11-14)24-15-8-4-3-5-9-15/h3-11,13,23H,2H2,1H3/b21-13-.
What are the key properties of 2-ethyl-5-[(2Z)-2-[(3-phenoxyphenyl)methylidene]hydrazinyl]-1,3-oxazole-4-carbonitrile?
2-ethyl-5-[(2Z)-2-[(3-phenoxyphenyl)methylidene]hydrazinyl]-1,3-oxazole-4-carbonitrile has a molecular weight of 332.36 g/mol, XLogP of 4.35, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-5-[(2Z)-2-[(3-phenoxyphenyl)methylidene]hydrazinyl]-1,3-oxazole-4-carbonitrile is sourced from PubChem (CID 35728131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).