4-cyano-5-(dimethylamino)-N,N-dimethyl-1,3-oxazole-2-carboxamide

C9H12N4O2 — CID 701004

IUPAC4-cyano-5-(dimethylamino)-N,N-dimethyl-1,3-oxazole-2-carboxamide
SMILESCN(C)C(=O)c1nc(C#N)c(N(C)C)o1
InChIInChI=1S/C9H12N4O2/c1-12(2)8(14)7-11-6(5-10)9(15-7)13(3)4/h1-4H3
InChIKeyNNCJYCZTLAQCOQ-UHFFFAOYSA-N
MW208.22 g/mol
LogP0.31
Rot. Bonds2

About 4-cyano-5-(dimethylamino)-N,N-dimethyl-1,3-oxazole-2-carboxamide

4-cyano-5-(dimethylamino)-N,N-dimethyl-1,3-oxazole-2-carboxamide (PubChem CID 701004) has the molecular formula C9H12N4O2 and a molecular weight of 208.22 g/mol. Its IUPAC name is 4-cyano-5-(dimethylamino)-N,N-dimethyl-1,3-oxazole-2-carboxamide.

Molecular Properties

Compound Name4-cyano-5-(dimethylamino)-N,N-dimethyl-1,3-oxazole-2-carboxamide
PubChem CID701004
Molecular FormulaC9H12N4O2
Molecular Weight208.22 g/mol
Exact Mass208.10
IUPAC Name4-cyano-5-(dimethylamino)-N,N-dimethyl-1,3-oxazole-2-carboxamide
SMILESCN(C)C(=O)c1nc(C#N)c(N(C)C)o1
InChIInChI=1S/C9H12N4O2/c1-12(2)8(14)7-11-6(5-10)9(15-7)13(3)4/h1-4H3
InChIKeyNNCJYCZTLAQCOQ-UHFFFAOYSA-N
XLogP0.31
TPSA73.37 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.22
LogP ≤ 50.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-cyano-5-(dimethylamino)-N,N-dimethyl-1,3-oxazole-2-carboxamide?
The IUPAC name of 4-cyano-5-(dimethylamino)-N,N-dimethyl-1,3-oxazole-2-carboxamide (CID 701004) is 4-cyano-5-(dimethylamino)-N,N-dimethyl-1,3-oxazole-2-carboxamide.
What is the SMILES notation for 4-cyano-5-(dimethylamino)-N,N-dimethyl-1,3-oxazole-2-carboxamide?
The canonical SMILES for 4-cyano-5-(dimethylamino)-N,N-dimethyl-1,3-oxazole-2-carboxamide is CN(C)C(=O)c1nc(C#N)c(N(C)C)o1.
What is the InChIKey of 4-cyano-5-(dimethylamino)-N,N-dimethyl-1,3-oxazole-2-carboxamide?
The InChIKey is NNCJYCZTLAQCOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4O2/c1-12(2)8(14)7-11-6(5-10)9(15-7)13(3)4/h1-4H3.
What are the key properties of 4-cyano-5-(dimethylamino)-N,N-dimethyl-1,3-oxazole-2-carboxamide?
4-cyano-5-(dimethylamino)-N,N-dimethyl-1,3-oxazole-2-carboxamide has a molecular weight of 208.22 g/mol, XLogP of 0.31, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyano-5-(dimethylamino)-N,N-dimethyl-1,3-oxazole-2-carboxamide is sourced from PubChem (CID 701004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).