2-tert-butyl-5-[2-[(4-ethoxyphenyl)methylidene]hydrazinyl]-1,3-oxazole-4-carbonitrile

C17H20N4O2 — CID 170983634

IUPAC2-tert-butyl-5-[2-[(4-ethoxyphenyl)methylidene]hydrazinyl]-1,3-oxazole-4-carbonitrile
SMILESCCOc1ccc(C=NNc2oc(C(C)(C)C)nc2C#N)cc1
InChIInChI=1S/C17H20N4O2/c1-5-22-13-8-6-12(7-9-13)11-19-21-15-14(10-18)20-16(23-15)17(2,3)4/h6-9,11,21H,5H2,1-4H3
InChIKeyFLXRQQNBKBVRIT-UHFFFAOYSA-N
MW312.37 g/mol
LogP3.69
Rot. Bonds5

About 2-tert-butyl-5-[2-[(4-ethoxyphenyl)methylidene]hydrazinyl]-1,3-oxazole-4-carbonitrile

2-tert-butyl-5-[2-[(4-ethoxyphenyl)methylidene]hydrazinyl]-1,3-oxazole-4-carbonitrile (PubChem CID 170983634) has the molecular formula C17H20N4O2 and a molecular weight of 312.37 g/mol. Its IUPAC name is 2-tert-butyl-5-[2-[(4-ethoxyphenyl)methylidene]hydrazinyl]-1,3-oxazole-4-carbonitrile.

Molecular Properties

Compound Name2-tert-butyl-5-[2-[(4-ethoxyphenyl)methylidene]hydrazinyl]-1,3-oxazole-4-carbonitrile
PubChem CID170983634
Molecular FormulaC17H20N4O2
Molecular Weight312.37 g/mol
Exact Mass312.16
IUPAC Name2-tert-butyl-5-[2-[(4-ethoxyphenyl)methylidene]hydrazinyl]-1,3-oxazole-4-carbonitrile
SMILESCCOc1ccc(C=NNc2oc(C(C)(C)C)nc2C#N)cc1
InChIInChI=1S/C17H20N4O2/c1-5-22-13-8-6-12(7-9-13)11-19-21-15-14(10-18)20-16(23-15)17(2,3)4/h6-9,11,21H,5H2,1-4H3
InChIKeyFLXRQQNBKBVRIT-UHFFFAOYSA-N
XLogP3.69
TPSA83.44 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 53.69
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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Related Compounds

2-tert-butyl-5-[2-[[4-(dimethylamino)phenyl]methylidene]hydrazinyl]-1,3-oxazole-4-carbonitrile
CID 170983660
2-tert-butyl-5-[2-[[4-(propan-2-yloxymethyl)phenyl]methylidene]hydrazinyl]-1,3-oxazole-4-carbonitrile
CID 170983638
2-ethyl-5-[(2E)-2-[(4-prop-2-enoxyphenyl)methylidene]hydrazinyl]-1,3-oxazole-4-carbonitrile
CID 44615473
2-tert-butyl-5-[2-[(2,4-dimethoxyphenyl)methylidene]hydrazinyl]-1,3-oxazole-4-carbonitrile
CID 170983631
2-pentan-3-yl-5-[2-[(4-prop-2-enoxyphenyl)methylidene]hydrazinyl]-1,3-oxazole-4-carbonitrile
CID 4700416
5-[(2E)-2-[(4-methoxyphenyl)methylidene]hydrazinyl]-2-prop-1-en-2-yl-1,3-oxazole-4-carbonitrile
CID 45142572
5-[2-[(4-ethylphenyl)methylidene]hydrazinyl]-2-propan-2-yl-1,3-oxazole-4-carbonitrile
CID 4502080
2-tert-butyl-5-[(2Z)-2-[(2-methyl-1H-indol-3-yl)methylidene]hydrazinyl]-1,3-oxazole-4-carbonitrile
CID 135888279
5-[(2E)-2-[(3-ethoxy-4-prop-2-enoxyphenyl)methylidene]hydrazinyl]-2-prop-1-en-2-yl-1,3-oxazole-4-carbonitrile
CID 45142563
2-(4-butylcyclohexyl)-5-[(2E)-2-[(4-tert-butylphenyl)methylidene]hydrazinyl]-1,3-oxazole-4-carbonitrile
CID 45142638
2-pentan-3-yl-5-[2-[(4-propan-2-ylphenyl)methylidene]hydrazinyl]-1,3-oxazole-4-carbonitrile
CID 4700384
N-[(Z)-(4-ethoxyphenyl)methylideneamino]-2-methylpropan-2-amine
CID 45093850

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-5-[2-[(4-ethoxyphenyl)methylidene]hydrazinyl]-1,3-oxazole-4-carbonitrile?
The IUPAC name of 2-tert-butyl-5-[2-[(4-ethoxyphenyl)methylidene]hydrazinyl]-1,3-oxazole-4-carbonitrile (CID 170983634) is 2-tert-butyl-5-[2-[(4-ethoxyphenyl)methylidene]hydrazinyl]-1,3-oxazole-4-carbonitrile.
What is the SMILES notation for 2-tert-butyl-5-[2-[(4-ethoxyphenyl)methylidene]hydrazinyl]-1,3-oxazole-4-carbonitrile?
The canonical SMILES for 2-tert-butyl-5-[2-[(4-ethoxyphenyl)methylidene]hydrazinyl]-1,3-oxazole-4-carbonitrile is CCOc1ccc(C=NNc2oc(C(C)(C)C)nc2C#N)cc1.
What is the InChIKey of 2-tert-butyl-5-[2-[(4-ethoxyphenyl)methylidene]hydrazinyl]-1,3-oxazole-4-carbonitrile?
The InChIKey is FLXRQQNBKBVRIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O2/c1-5-22-13-8-6-12(7-9-13)11-19-21-15-14(10-18)20-16(23-15)17(2,3)4/h6-9,11,21H,5H2,1-4H3.
What are the key properties of 2-tert-butyl-5-[2-[(4-ethoxyphenyl)methylidene]hydrazinyl]-1,3-oxazole-4-carbonitrile?
2-tert-butyl-5-[2-[(4-ethoxyphenyl)methylidene]hydrazinyl]-1,3-oxazole-4-carbonitrile has a molecular weight of 312.37 g/mol, XLogP of 3.69, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-5-[2-[(4-ethoxyphenyl)methylidene]hydrazinyl]-1,3-oxazole-4-carbonitrile is sourced from PubChem (CID 170983634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).