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

C17H11N5O3 — CID 34317581

IUPAC5-[(2Z)-2-[(3-nitrophenyl)methylidene]hydrazinyl]-2-phenyl-1,3-oxazole-4-carbonitrile
SMILESN#Cc1nc(-c2ccccc2)oc1N/N=C\c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C17H11N5O3/c18-10-15-17(25-16(20-15)13-6-2-1-3-7-13)21-19-11-12-5-4-8-14(9-12)22(23)24/h1-9,11,21H/b19-11-
InChIKeyYIHADSKRRKBYCY-ODLFYWEKSA-N
MW333.31 g/mol
LogP3.57
Rot. Bonds5

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

5-[(2Z)-2-[(3-nitrophenyl)methylidene]hydrazinyl]-2-phenyl-1,3-oxazole-4-carbonitrile (PubChem CID 34317581) has the molecular formula C17H11N5O3 and a molecular weight of 333.31 g/mol. Its IUPAC name is 5-[(2Z)-2-[(3-nitrophenyl)methylidene]hydrazinyl]-2-phenyl-1,3-oxazole-4-carbonitrile.

Molecular Properties

Compound Name5-[(2Z)-2-[(3-nitrophenyl)methylidene]hydrazinyl]-2-phenyl-1,3-oxazole-4-carbonitrile
PubChem CID34317581
Molecular FormulaC17H11N5O3
Molecular Weight333.31 g/mol
Exact Mass333.09
IUPAC Name5-[(2Z)-2-[(3-nitrophenyl)methylidene]hydrazinyl]-2-phenyl-1,3-oxazole-4-carbonitrile
SMILESN#Cc1nc(-c2ccccc2)oc1N/N=C\c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C17H11N5O3/c18-10-15-17(25-16(20-15)13-6-2-1-3-7-13)21-19-11-12-5-4-8-14(9-12)22(23)24/h1-9,11,21H/b19-11-
InChIKeyYIHADSKRRKBYCY-ODLFYWEKSA-N
XLogP3.57
TPSA117.35 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.31
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

2-(4-butylcyclohexyl)-5-[(2Z)-2-[(3-nitrophenyl)methylidene]hydrazinyl]-1,3-oxazole-4-carbonitrile
CID 34925029
2-phenyl-5-[(2E)-2-(thiophen-2-ylmethylidene)hydrazinyl]-1,3-oxazole-4-carbonitrile
CID 44615199
N-[(Z)-(3-nitrophenyl)methylideneamino]-1,3-benzoxazol-2-amine
CID 122707156
6-nitro-2-[2-[(3-nitrophenyl)methylidene]hydrazinyl]-1,3-benzothiazin-4-one
CID 4293048
5-[2-[(4-nitrophenyl)methylidene]hydrazinyl]-2-pentan-3-yl-1,3-oxazole-4-carbonitrile
CID 4700402
5-nitro-N-[(3-nitrophenyl)methylideneamino]pyrimidin-2-amine
CID 171665795
3,4-dichloro-N-[(3-nitrophenyl)methylideneamino]aniline
CID 78596754
3-nitro-N-[(4-phenylphenyl)methylideneamino]aniline
CID 5110407
2-ethyl-5-[(2Z)-2-[(3-phenoxyphenyl)methylidene]hydrazinyl]-1,3-oxazole-4-carbonitrile
CID 35728131
4-methoxy-N-[(E)-(3-nitrophenyl)methylideneamino]aniline
CID 110509079
N-[(E)-(3-nitrophenyl)methylideneamino]-4-phenylbenzamide
CID 6897881
2-[(2Z)-2-benzylidenehydrazinyl]-6-nitro-1,3-benzothiazin-4-one
CID 6043126

Frequently Asked Questions

What is the IUPAC name of 5-[(2Z)-2-[(3-nitrophenyl)methylidene]hydrazinyl]-2-phenyl-1,3-oxazole-4-carbonitrile?
The IUPAC name of 5-[(2Z)-2-[(3-nitrophenyl)methylidene]hydrazinyl]-2-phenyl-1,3-oxazole-4-carbonitrile (CID 34317581) is 5-[(2Z)-2-[(3-nitrophenyl)methylidene]hydrazinyl]-2-phenyl-1,3-oxazole-4-carbonitrile.
What is the SMILES notation for 5-[(2Z)-2-[(3-nitrophenyl)methylidene]hydrazinyl]-2-phenyl-1,3-oxazole-4-carbonitrile?
The canonical SMILES for 5-[(2Z)-2-[(3-nitrophenyl)methylidene]hydrazinyl]-2-phenyl-1,3-oxazole-4-carbonitrile is N#Cc1nc(-c2ccccc2)oc1N/N=C\c1cccc([N+](=O)[O-])c1.
What is the InChIKey of 5-[(2Z)-2-[(3-nitrophenyl)methylidene]hydrazinyl]-2-phenyl-1,3-oxazole-4-carbonitrile?
The InChIKey is YIHADSKRRKBYCY-ODLFYWEKSA-N. The full InChI is InChI=1S/C17H11N5O3/c18-10-15-17(25-16(20-15)13-6-2-1-3-7-13)21-19-11-12-5-4-8-14(9-12)22(23)24/h1-9,11,21H/b19-11-.
What are the key properties of 5-[(2Z)-2-[(3-nitrophenyl)methylidene]hydrazinyl]-2-phenyl-1,3-oxazole-4-carbonitrile?
5-[(2Z)-2-[(3-nitrophenyl)methylidene]hydrazinyl]-2-phenyl-1,3-oxazole-4-carbonitrile has a molecular weight of 333.31 g/mol, XLogP of 3.57, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2Z)-2-[(3-nitrophenyl)methylidene]hydrazinyl]-2-phenyl-1,3-oxazole-4-carbonitrile is sourced from PubChem (CID 34317581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).