N-(1-cyanoethyl)-N,5-dimethyl-1,2-oxazole-3-carboxamide

C9H11N3O2 — CID 66158121

IUPACN-(1-cyanoethyl)-N,5-dimethyl-1,2-oxazole-3-carboxamide
SMILESCc1cc(C(=O)N(C)C(C)C#N)no1
InChIInChI=1S/C9H11N3O2/c1-6(5-10)12(3)9(13)8-4-7(2)14-11-8/h4,6H,1-3H3
InChIKeyDYYJUTIQYPGHEJ-UHFFFAOYSA-N
MW193.21 g/mol
LogP0.97
Rot. Bonds2

About N-(1-cyanoethyl)-N,5-dimethyl-1,2-oxazole-3-carboxamide

N-(1-cyanoethyl)-N,5-dimethyl-1,2-oxazole-3-carboxamide (PubChem CID 66158121) has the molecular formula C9H11N3O2 and a molecular weight of 193.21 g/mol. Its IUPAC name is N-(1-cyanoethyl)-N,5-dimethyl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-(1-cyanoethyl)-N,5-dimethyl-1,2-oxazole-3-carboxamide
PubChem CID66158121
Molecular FormulaC9H11N3O2
Molecular Weight193.21 g/mol
Exact Mass193.09
IUPAC NameN-(1-cyanoethyl)-N,5-dimethyl-1,2-oxazole-3-carboxamide
SMILESCc1cc(C(=O)N(C)C(C)C#N)no1
InChIInChI=1S/C9H11N3O2/c1-6(5-10)12(3)9(13)8-4-7(2)14-11-8/h4,6H,1-3H3
InChIKeyDYYJUTIQYPGHEJ-UHFFFAOYSA-N
XLogP0.97
TPSA70.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.21
LogP ≤ 50.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-cyanoethyl)-N,5-dimethylfuran-3-carboxamide
CID 114820609
N-[(1S)-1-cyanoethyl]-N-methyl-5-[2-(trifluoromethyl)phenyl]-1,2-oxazole-3-carboxamide
CID 129488415
N-(4-amino-4-hydroxyiminobutan-2-yl)-N,5-dimethyl-1,2-oxazole-3-carboxamide
CID 77113489
N-methoxy-N,5-dimethyl-1,2-oxazole-3-carboxamide
CID 45099367
N-ethyl-N,5-dimethyl-1,2-oxazole-3-carboxamide;hydrochloride
CID 130615848
N-cyano-5-methyl-1,2-oxazole-3-carboxamide
CID 79193768
N-(2-chloroethyl)-N,5-dimethyl-1,2-oxazole-3-carboxamide
CID 66156018
5-chloro-N-(1-cyanoethyl)-N,2-dimethylbenzamide
CID 82883977
3-[methyl-(5-methyl-1,2-oxazole-3-carbonyl)amino]propanoic acid
CID 20586201
N-(3-bromopropyl)-N,5-dimethyl-1,2-oxazole-3-carboxamide
CID 106441445
5-methyl-N,N-bis(prop-2-enyl)-1,2-oxazole-3-carboxamide
CID 25237561
N-[4-(cyclohexylmethylamino)-3-hydroxy-4-oxobutan-2-yl]-N,5-dimethyl-1,2-oxazole-3-carboxamide
CID 134349292

Frequently Asked Questions

What is the IUPAC name of N-(1-cyanoethyl)-N,5-dimethyl-1,2-oxazole-3-carboxamide?
The IUPAC name of N-(1-cyanoethyl)-N,5-dimethyl-1,2-oxazole-3-carboxamide (CID 66158121) is N-(1-cyanoethyl)-N,5-dimethyl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-(1-cyanoethyl)-N,5-dimethyl-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-(1-cyanoethyl)-N,5-dimethyl-1,2-oxazole-3-carboxamide is Cc1cc(C(=O)N(C)C(C)C#N)no1.
What is the InChIKey of N-(1-cyanoethyl)-N,5-dimethyl-1,2-oxazole-3-carboxamide?
The InChIKey is DYYJUTIQYPGHEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3O2/c1-6(5-10)12(3)9(13)8-4-7(2)14-11-8/h4,6H,1-3H3.
What are the key properties of N-(1-cyanoethyl)-N,5-dimethyl-1,2-oxazole-3-carboxamide?
N-(1-cyanoethyl)-N,5-dimethyl-1,2-oxazole-3-carboxamide has a molecular weight of 193.21 g/mol, XLogP of 0.97, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyanoethyl)-N,5-dimethyl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 66158121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).