3-(3-cyanophenyl)-N-(3-diazenylcyclobutyl)-N-methyl-1,2-oxazole-5-carboxamide

C16H15N5O2 — CID 163770056

IUPAC3-(3-cyanophenyl)-N-(3-diazenylcyclobutyl)-N-methyl-1,2-oxazole-5-carboxamide
SMILES[H]/N=N/C1CC(N(C)C(=O)c2cc(-c3cccc(C#N)c3)no2)C1
InChIInChI=1S/C16H15N5O2/c1-21(13-6-12(7-13)19-18)16(22)15-8-14(20-23-15)11-4-2-3-10(5-11)9-17/h2-5,8,12-13,18H,6-7H2,1H3/b19-18+
InChIKeyMFQFWYSKSZNHTB-VHEBQXMUSA-N
MW309.33 g/mol
LogP2.85
Rot. Bonds4

About 3-(3-cyanophenyl)-N-(3-diazenylcyclobutyl)-N-methyl-1,2-oxazole-5-carboxamide

3-(3-cyanophenyl)-N-(3-diazenylcyclobutyl)-N-methyl-1,2-oxazole-5-carboxamide (PubChem CID 163770056) has the molecular formula C16H15N5O2 and a molecular weight of 309.33 g/mol. Its IUPAC name is 3-(3-cyanophenyl)-N-(3-diazenylcyclobutyl)-N-methyl-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound Name3-(3-cyanophenyl)-N-(3-diazenylcyclobutyl)-N-methyl-1,2-oxazole-5-carboxamide
PubChem CID163770056
Molecular FormulaC16H15N5O2
Molecular Weight309.33 g/mol
Exact Mass309.12
IUPAC Name3-(3-cyanophenyl)-N-(3-diazenylcyclobutyl)-N-methyl-1,2-oxazole-5-carboxamide
SMILES[H]/N=N/C1CC(N(C)C(=O)c2cc(-c3cccc(C#N)c3)no2)C1
InChIInChI=1S/C16H15N5O2/c1-21(13-6-12(7-13)19-18)16(22)15-8-14(20-23-15)11-4-2-3-10(5-11)9-17/h2-5,8,12-13,18H,6-7H2,1H3/b19-18+
InChIKeyMFQFWYSKSZNHTB-VHEBQXMUSA-N
XLogP2.85
TPSA106.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.33
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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-(3-acetamidocyclobutyl)-3-(3-cyanophenyl)-N-methyl-1,2-oxazole-5-carboxamide
CID 167818481
1-[3-(3-cyanophenyl)-1,2-oxazol-5-yl]cyclobutane-1-carboxamide
CID 155622173
3-(5-chloro-1,2-oxazol-3-yl)benzonitrile
CID 18612646
N-[3-[5-[(1R)-1-methoxyethyl]triazol-1-yl]cyclobutyl]-N-methyl-3-phenyl-1,2-oxazole-5-carboxamide
CID 121448126
4-(3-cyanophenyl)-N-(dicyclopropylmethyl)-N-methylbenzamide
CID 119061327
N-[3-(azidomethyl)cyclobutyl]-3-[3-(3-hydroxyprop-1-ynyl)phenyl]-1,2-oxazole-5-carboxamide
CID 154933062
N-(5-hydroxypentyl)-N-methyl-3-phenyl-1,2-oxazole-5-carboxamide
CID 107202129
3-cyano-N-methyl-N-(1-methylpiperidin-4-yl)benzamide
CID 24706025
N-(4-aminocyclohexyl)-3-cyano-N-methylbenzamide
CID 79121217
3-phenyl-N-piperidin-4-yl-N-propyl-1,2-oxazole-5-carboxamide
CID 119825777
3-[3-[cyclopropyl(methoxy)methyl]-1,2,4-oxadiazol-5-yl]benzonitrile
CID 106527338
3-(3-bromophenyl)-1,2-oxazole-5-carbonyl chloride
CID 82371429

Frequently Asked Questions

What is the IUPAC name of 3-(3-cyanophenyl)-N-(3-diazenylcyclobutyl)-N-methyl-1,2-oxazole-5-carboxamide?
The IUPAC name of 3-(3-cyanophenyl)-N-(3-diazenylcyclobutyl)-N-methyl-1,2-oxazole-5-carboxamide (CID 163770056) is 3-(3-cyanophenyl)-N-(3-diazenylcyclobutyl)-N-methyl-1,2-oxazole-5-carboxamide.
What is the SMILES notation for 3-(3-cyanophenyl)-N-(3-diazenylcyclobutyl)-N-methyl-1,2-oxazole-5-carboxamide?
The canonical SMILES for 3-(3-cyanophenyl)-N-(3-diazenylcyclobutyl)-N-methyl-1,2-oxazole-5-carboxamide is [H]/N=N/C1CC(N(C)C(=O)c2cc(-c3cccc(C#N)c3)no2)C1.
What is the InChIKey of 3-(3-cyanophenyl)-N-(3-diazenylcyclobutyl)-N-methyl-1,2-oxazole-5-carboxamide?
The InChIKey is MFQFWYSKSZNHTB-VHEBQXMUSA-N. The full InChI is InChI=1S/C16H15N5O2/c1-21(13-6-12(7-13)19-18)16(22)15-8-14(20-23-15)11-4-2-3-10(5-11)9-17/h2-5,8,12-13,18H,6-7H2,1H3/b19-18+.
What are the key properties of 3-(3-cyanophenyl)-N-(3-diazenylcyclobutyl)-N-methyl-1,2-oxazole-5-carboxamide?
3-(3-cyanophenyl)-N-(3-diazenylcyclobutyl)-N-methyl-1,2-oxazole-5-carboxamide has a molecular weight of 309.33 g/mol, XLogP of 2.85, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-cyanophenyl)-N-(3-diazenylcyclobutyl)-N-methyl-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 163770056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).