N-(2-cyanopropan-2-yl)-5-methyl-1,2-oxazole-3-carboxamide

C9H11N3O2 — CID 63930204

IUPACN-(2-cyanopropan-2-yl)-5-methyl-1,2-oxazole-3-carboxamide
SMILESCc1cc(C(=O)NC(C)(C)C#N)no1
InChIInChI=1S/C9H11N3O2/c1-6-4-7(12-14-6)8(13)11-9(2,3)5-10/h4H,1-3H3,(H,11,13)
InChIKeyFLQLACCVKJHGHM-UHFFFAOYSA-N
MW193.21 g/mol
LogP1.01
Rot. Bonds2

About N-(2-cyanopropan-2-yl)-5-methyl-1,2-oxazole-3-carboxamide

N-(2-cyanopropan-2-yl)-5-methyl-1,2-oxazole-3-carboxamide (PubChem CID 63930204) has the molecular formula C9H11N3O2 and a molecular weight of 193.21 g/mol. Its IUPAC name is N-(2-cyanopropan-2-yl)-5-methyl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-(2-cyanopropan-2-yl)-5-methyl-1,2-oxazole-3-carboxamide
PubChem CID63930204
Molecular FormulaC9H11N3O2
Molecular Weight193.21 g/mol
Exact Mass193.09
IUPAC NameN-(2-cyanopropan-2-yl)-5-methyl-1,2-oxazole-3-carboxamide
SMILESCc1cc(C(=O)NC(C)(C)C#N)no1
InChIInChI=1S/C9H11N3O2/c1-6-4-7(12-14-6)8(13)11-9(2,3)5-10/h4H,1-3H3,(H,11,13)
InChIKeyFLQLACCVKJHGHM-UHFFFAOYSA-N
XLogP1.01
TPSA78.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.21
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyano-5-methyl-1,2-oxazole-3-carboxamide
CID 79193768
3,3,3-trifluoro-2-methyl-2-[(5-methyl-1,2-oxazole-3-carbonyl)amino]propanoic acid
CID 79792056
N-[3-(chloromethyl)pentan-3-yl]-5-methyl-1,2-oxazole-3-carboxamide
CID 114304703
(2R)-3,3-dimethyl-2-[(5-methyl-1,2-oxazole-3-carbonyl)amino]butanoic acid
CID 93054926
N-(2-cyanopropan-2-yl)-1-methyl-5-(4-methylphenyl)pyrazole-3-carboxamide
CID 110615090
6-bromo-N-(2-cyanopropan-2-yl)pyridine-2-carboxamide
CID 103890083
N-(4-chloro-2,2-dimethylbutyl)-5-methyl-1,2-oxazole-3-carboxamide
CID 106143121
N-(2-chloroprop-2-enyl)-5-methyl-1,2-oxazole-3-carboxamide
CID 115636549
N-[(2S)-2-hydroxy-2-methyl-4-methylsulfanylbutyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 95984269
N-(5-cyano-1,3-thiazol-2-yl)-5-methyl-1,2-oxazole-3-carboxamide
CID 90603668
4-(chloromethyl)-N-(2-cyanopropan-2-yl)-5-methylfuran-2-carboxamide
CID 82109738
tert-butyl (2R)-2-[(5-methyl-1,2-oxazole-3-carbonyl)amino]propanoate
CID 81004390

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanopropan-2-yl)-5-methyl-1,2-oxazole-3-carboxamide?
The IUPAC name of N-(2-cyanopropan-2-yl)-5-methyl-1,2-oxazole-3-carboxamide (CID 63930204) is N-(2-cyanopropan-2-yl)-5-methyl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-(2-cyanopropan-2-yl)-5-methyl-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-(2-cyanopropan-2-yl)-5-methyl-1,2-oxazole-3-carboxamide is Cc1cc(C(=O)NC(C)(C)C#N)no1.
What is the InChIKey of N-(2-cyanopropan-2-yl)-5-methyl-1,2-oxazole-3-carboxamide?
The InChIKey is FLQLACCVKJHGHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3O2/c1-6-4-7(12-14-6)8(13)11-9(2,3)5-10/h4H,1-3H3,(H,11,13).
What are the key properties of N-(2-cyanopropan-2-yl)-5-methyl-1,2-oxazole-3-carboxamide?
N-(2-cyanopropan-2-yl)-5-methyl-1,2-oxazole-3-carboxamide has a molecular weight of 193.21 g/mol, XLogP of 1.01, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanopropan-2-yl)-5-methyl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 63930204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).