2-[[4-(4-ethyl-5-methyl-1,3-oxazol-2-yl)phenyl]hydrazinylidene]propanedinitrile

C15H13N5O — CID 169340516

IUPAC2-[[4-(4-ethyl-5-methyl-1,3-oxazol-2-yl)phenyl]hydrazinylidene]propanedinitrile
SMILESCCc1nc(-c2ccc(NN=C(C#N)C#N)cc2)oc1C
InChIInChI=1S/C15H13N5O/c1-3-14-10(2)21-15(18-14)11-4-6-12(7-5-11)19-20-13(8-16)9-17/h4-7,19H,3H2,1-2H3
InChIKeyQYBOXNJICGHROW-UHFFFAOYSA-N
MW279.30 g/mol
LogP3.03
Rot. Bonds4

About 2-[[4-(4-ethyl-5-methyl-1,3-oxazol-2-yl)phenyl]hydrazinylidene]propanedinitrile

2-[[4-(4-ethyl-5-methyl-1,3-oxazol-2-yl)phenyl]hydrazinylidene]propanedinitrile (PubChem CID 169340516) has the molecular formula C15H13N5O and a molecular weight of 279.30 g/mol. Its IUPAC name is 2-[[4-(4-ethyl-5-methyl-1,3-oxazol-2-yl)phenyl]hydrazinylidene]propanedinitrile.

Molecular Properties

Compound Name2-[[4-(4-ethyl-5-methyl-1,3-oxazol-2-yl)phenyl]hydrazinylidene]propanedinitrile
PubChem CID169340516
Molecular FormulaC15H13N5O
Molecular Weight279.30 g/mol
Exact Mass279.11
IUPAC Name2-[[4-(4-ethyl-5-methyl-1,3-oxazol-2-yl)phenyl]hydrazinylidene]propanedinitrile
SMILESCCc1nc(-c2ccc(NN=C(C#N)C#N)cc2)oc1C
InChIInChI=1S/C15H13N5O/c1-3-14-10(2)21-15(18-14)11-4-6-12(7-5-11)19-20-13(8-16)9-17/h4-7,19H,3H2,1-2H3
InChIKeyQYBOXNJICGHROW-UHFFFAOYSA-N
XLogP3.03
TPSA98.00 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.30
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyano_imine_B(17)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[[4-(4,5-dimethyl-1,3-oxazol-2-yl)phenyl]hydrazinylidene]propanedinitrile
CID 169340926
ethane;4-ethyl-5-methyl-2-(4-methylphenyl)-1,3-oxazole
CID 142936013
2-[(4-ethylphenyl)hydrazinylidene]propanedinitrile
CID 169341976
4-ethyl-5-methyl-2-(4-propan-2-ylphenyl)-1,3-oxazole
CID 142936111
2-[[4-(7-methylimidazo[1,2-a]pyrimidin-2-yl)phenyl]hydrazinylidene]propanedinitrile
CID 169340210
2-[[4-(5-fluoropyrimidin-2-yl)phenyl]hydrazinylidene]propanedinitrile
CID 167211476
4-ethyl-5-methyl-2-(3-phenylphenyl)-1,3-oxazole
CID 91508393
ethane;4-ethyl-5-methyl-2-(3-methylphenyl)-1,3-oxazole
CID 142936057
2-[[2-(3-iodophenyl)-1,3-benzoxazol-5-yl]hydrazinylidene]propanedinitrile
CID 169339225
[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methanamine
CID 46344053
N-[2-[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]ethyl]acetamide
CID 110415002
2-[[4-(3-methyl-1,2,4-triazol-1-yl)phenyl]hydrazinylidene]propanedinitrile
CID 169340029

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(4-ethyl-5-methyl-1,3-oxazol-2-yl)phenyl]hydrazinylidene]propanedinitrile?
The IUPAC name of 2-[[4-(4-ethyl-5-methyl-1,3-oxazol-2-yl)phenyl]hydrazinylidene]propanedinitrile (CID 169340516) is 2-[[4-(4-ethyl-5-methyl-1,3-oxazol-2-yl)phenyl]hydrazinylidene]propanedinitrile.
What is the SMILES notation for 2-[[4-(4-ethyl-5-methyl-1,3-oxazol-2-yl)phenyl]hydrazinylidene]propanedinitrile?
The canonical SMILES for 2-[[4-(4-ethyl-5-methyl-1,3-oxazol-2-yl)phenyl]hydrazinylidene]propanedinitrile is CCc1nc(-c2ccc(NN=C(C#N)C#N)cc2)oc1C.
What is the InChIKey of 2-[[4-(4-ethyl-5-methyl-1,3-oxazol-2-yl)phenyl]hydrazinylidene]propanedinitrile?
The InChIKey is QYBOXNJICGHROW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N5O/c1-3-14-10(2)21-15(18-14)11-4-6-12(7-5-11)19-20-13(8-16)9-17/h4-7,19H,3H2,1-2H3.
What are the key properties of 2-[[4-(4-ethyl-5-methyl-1,3-oxazol-2-yl)phenyl]hydrazinylidene]propanedinitrile?
2-[[4-(4-ethyl-5-methyl-1,3-oxazol-2-yl)phenyl]hydrazinylidene]propanedinitrile has a molecular weight of 279.30 g/mol, XLogP of 3.03, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(4-ethyl-5-methyl-1,3-oxazol-2-yl)phenyl]hydrazinylidene]propanedinitrile is sourced from PubChem (CID 169340516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).