N-(4-phenyldiazenylphenyl)-1,2-oxazole-5-carboxamide

C16H12N4O2 — CID 41149579

IUPACN-(4-phenyldiazenylphenyl)-1,2-oxazole-5-carboxamide
SMILESO=C(Nc1ccc(/N=N/c2ccccc2)cc1)c1ccno1
InChIInChI=1S/C16H12N4O2/c21-16(15-10-11-17-22-15)18-12-6-8-14(9-7-12)20-19-13-4-2-1-3-5-13/h1-11H,(H,18,21)/b20-19+
InChIKeyVRUKIRKELBNPTO-FMQUCBEESA-N
MW292.30 g/mol
LogP4.34
Rot. Bonds4

About N-(4-phenyldiazenylphenyl)-1,2-oxazole-5-carboxamide

N-(4-phenyldiazenylphenyl)-1,2-oxazole-5-carboxamide (PubChem CID 41149579) has the molecular formula C16H12N4O2 and a molecular weight of 292.30 g/mol. Its IUPAC name is N-(4-phenyldiazenylphenyl)-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-(4-phenyldiazenylphenyl)-1,2-oxazole-5-carboxamide
PubChem CID41149579
Molecular FormulaC16H12N4O2
Molecular Weight292.30 g/mol
Exact Mass292.10
IUPAC NameN-(4-phenyldiazenylphenyl)-1,2-oxazole-5-carboxamide
SMILESO=C(Nc1ccc(/N=N/c2ccccc2)cc1)c1ccno1
InChIInChI=1S/C16H12N4O2/c21-16(15-10-11-17-22-15)18-12-6-8-14(9-7-12)20-19-13-4-2-1-3-5-13/h1-11H,(H,18,21)/b20-19+
InChIKeyVRUKIRKELBNPTO-FMQUCBEESA-N
XLogP4.34
TPSA79.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.30
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Related Compounds

N-(2-methylphenyl)-1,2-oxazole-5-carboxamide
CID 7996638
N-(2-(piperidin-1-yl)phenyl)isoxazole-5-carboxamide
CID 11277266
Isoxazole-5-carboxylic acid [4-(4-methyl-3-oxo-3,4-dihydro-quinoxalin-2-ylamino)-phenyl]-amide
CID 11451272
CID 145986555
CID 145986555
N-(3,5-dichlorophenyl)isoxazole-5-carboxamide
CID 2744443
N-[3-[[4-(cyclohexylcarbamoyl)piperidin-1-yl]methyl]phenyl]-1,2-oxazole-5-carboxamide
CID 129626030
N-(4-chlorophenyl)isoxazole-5-carboxamide
CID 2744445
N-[6-(2-aminoanilino)-6-oxohexyl]-1,2-oxazole-5-carboxamide
CID 45137578
N-[2-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]-1,2-oxazole-5-carboxamide
CID 90010773
N-[3-[(4-oxo-5,6,7,8-tetrahydro-1H-phthalazin-1-yl)methyl]phenyl]-1,2-oxazole-5-carboxamide
CID 124221028
5-Isoxazolecarboxamide, N-(2,6-dimethylphenyl)-
CID 3073026
(E)-3-methyl-N-(4-(phenyldiazenyl)phenyl)isoxazole-5-carboxamide
CID 16880198

Frequently Asked Questions

What is the IUPAC name of N-(4-phenyldiazenylphenyl)-1,2-oxazole-5-carboxamide?
The IUPAC name of N-(4-phenyldiazenylphenyl)-1,2-oxazole-5-carboxamide (CID 41149579) is N-(4-phenyldiazenylphenyl)-1,2-oxazole-5-carboxamide.
What is the SMILES notation for N-(4-phenyldiazenylphenyl)-1,2-oxazole-5-carboxamide?
The canonical SMILES for N-(4-phenyldiazenylphenyl)-1,2-oxazole-5-carboxamide is O=C(Nc1ccc(/N=N/c2ccccc2)cc1)c1ccno1.
What is the InChIKey of N-(4-phenyldiazenylphenyl)-1,2-oxazole-5-carboxamide?
The InChIKey is VRUKIRKELBNPTO-FMQUCBEESA-N. The full InChI is InChI=1S/C16H12N4O2/c21-16(15-10-11-17-22-15)18-12-6-8-14(9-7-12)20-19-13-4-2-1-3-5-13/h1-11H,(H,18,21)/b20-19+.
What are the key properties of N-(4-phenyldiazenylphenyl)-1,2-oxazole-5-carboxamide?
N-(4-phenyldiazenylphenyl)-1,2-oxazole-5-carboxamide has a molecular weight of 292.30 g/mol, XLogP of 4.34, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-phenyldiazenylphenyl)-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 41149579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).