N-cyano-5-methyl-1,2-oxazole-4-carboxamide

C6H5N3O2 — CID 79194148

IUPACN-cyano-5-methyl-1,2-oxazole-4-carboxamide
SMILESCc1oncc1C(=O)NC#N
InChIInChI=1S/C6H5N3O2/c1-4-5(2-9-11-4)6(10)8-3-7/h2H,1H3,(H,8,10)
InChIKeyUUSOYVNTBYZBJU-UHFFFAOYSA-N
MW151.12 g/mol
LogP0.19
Rot. Bonds1

About N-cyano-5-methyl-1,2-oxazole-4-carboxamide

N-cyano-5-methyl-1,2-oxazole-4-carboxamide (PubChem CID 79194148) has the molecular formula C6H5N3O2 and a molecular weight of 151.12 g/mol. Its IUPAC name is N-cyano-5-methyl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-cyano-5-methyl-1,2-oxazole-4-carboxamide
PubChem CID79194148
Molecular FormulaC6H5N3O2
Molecular Weight151.12 g/mol
Exact Mass151.04
IUPAC NameN-cyano-5-methyl-1,2-oxazole-4-carboxamide
SMILESCc1oncc1C(=O)NC#N
InChIInChI=1S/C6H5N3O2/c1-4-5(2-9-11-4)6(10)8-3-7/h2H,1H3,(H,8,10)
InChIKeyUUSOYVNTBYZBJU-UHFFFAOYSA-N
XLogP0.19
TPSA78.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.12
LogP ≤ 50.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}, {'alert_name': 'enamine', 'substructure': 'N/A'}

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Related Compounds

N-(3-cyanopentan-3-yl)-5-methyl-1,2-oxazole-4-carboxamide
CID 55136511
5-methyl-N-propan-2-yl-1,2-oxazole-4-carboxamide
CID 1477707
N-(4-cyano-1H-pyrazol-5-yl)-5-methyl-1,2-oxazole-4-carboxamide
CID 79504220
N-[2-(ethylamino)ethyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 62657278
N-(4-cyano-1-methylpyrazol-5-yl)-5-methyl-1,2-oxazole-4-carboxamide
CID 113220547
N-(2-acetamidoethyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 110682601
5-methyl-1,2-oxazole-4-carboxamide
CID 18366019
N-(4-hydroxyphenyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 19439747
5-methyl-N-(2-methylprop-2-enyl)-1,2-oxazole-4-carboxamide
CID 114618563
N-(1-hydroxypropan-2-yl)-5-methyl-1,2-oxazole-4-carboxamide
CID 43501123
N-(5-bromo-2-cyanophenyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 107798369
N-(5-chloro-2-cyanophenyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 60710472

Frequently Asked Questions

What is the IUPAC name of N-cyano-5-methyl-1,2-oxazole-4-carboxamide?
The IUPAC name of N-cyano-5-methyl-1,2-oxazole-4-carboxamide (CID 79194148) is N-cyano-5-methyl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for N-cyano-5-methyl-1,2-oxazole-4-carboxamide?
The canonical SMILES for N-cyano-5-methyl-1,2-oxazole-4-carboxamide is Cc1oncc1C(=O)NC#N.
What is the InChIKey of N-cyano-5-methyl-1,2-oxazole-4-carboxamide?
The InChIKey is UUSOYVNTBYZBJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5N3O2/c1-4-5(2-9-11-4)6(10)8-3-7/h2H,1H3,(H,8,10).
What are the key properties of N-cyano-5-methyl-1,2-oxazole-4-carboxamide?
N-cyano-5-methyl-1,2-oxazole-4-carboxamide has a molecular weight of 151.12 g/mol, XLogP of 0.19, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyano-5-methyl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 79194148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).