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

C9H11N3O2 — CID 62651855

IUPACN-(2-cyanopropyl)-3-methyl-1,2-oxazole-5-carboxamide
SMILESCc1cc(C(=O)NCC(C)C#N)on1
InChIInChI=1S/C9H11N3O2/c1-6(4-10)5-11-9(13)8-3-7(2)12-14-8/h3,6H,5H2,1-2H3,(H,11,13)
InChIKeyADSDQOSYAYXJKB-UHFFFAOYSA-N
MW193.21 g/mol
LogP0.87
Rot. Bonds3

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

N-(2-cyanopropyl)-3-methyl-1,2-oxazole-5-carboxamide (PubChem CID 62651855) has the molecular formula C9H11N3O2 and a molecular weight of 193.21 g/mol. Its IUPAC name is N-(2-cyanopropyl)-3-methyl-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-(2-cyanopropyl)-3-methyl-1,2-oxazole-5-carboxamide
PubChem CID62651855
Molecular FormulaC9H11N3O2
Molecular Weight193.21 g/mol
Exact Mass193.09
IUPAC NameN-(2-cyanopropyl)-3-methyl-1,2-oxazole-5-carboxamide
SMILESCc1cc(C(=O)NCC(C)C#N)on1
InChIInChI=1S/C9H11N3O2/c1-6(4-10)5-11-9(13)8-3-7(2)12-14-8/h3,6H,5H2,1-2H3,(H,11,13)
InChIKeyADSDQOSYAYXJKB-UHFFFAOYSA-N
XLogP0.87
TPSA78.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.21
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]-1,2-oxazole-5-carboxamide
CID 51257536
N-(4-chloropentyl)-3-methyl-1,2-oxazole-5-carboxamide
CID 106130200
2-benzyl-3-[(3-methyl-1,2-oxazole-5-carbonyl)amino]propanoic acid
CID 119233563
3-methyl-N-(2-methylprop-2-enyl)-1,2-oxazole-5-carboxamide
CID 114618847
3-methyl-N-pentyl-1,2-oxazole-5-carboxamide
CID 137320445
N-[(2R)-2-(4-chlorophenyl)-2-[(3-methyl-1,2-oxazole-5-carbonyl)amino]ethyl]-3-methyl-1,2-oxazole-5-carboxamide
CID 100717123
N-[2-(4-chlorophenyl)-2-[(3-methyl-1,2-oxazole-5-carbonyl)amino]ethyl]-3-methyl-1,2-oxazole-5-carboxamide
CID 119040347
N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-methyl-1,2-oxazole-5-carboxamide
CID 51251068
N-(1,3-dihydroxypropan-2-yl)-3-methyl-1,2-oxazole-5-carboxamide
CID 65314948
(2R)-2-[(3-methyl-1,2-oxazole-5-carbonyl)amino]propanoic acid
CID 28777806
N-(4-chlorobutan-2-yl)-3-methyl-1,2-oxazole-5-carboxamide
CID 83188576
N-(2-cyanopropyl)-2,4-dimethyl-1,3-oxazole-5-carboxamide
CID 79026402

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanopropyl)-3-methyl-1,2-oxazole-5-carboxamide?
The IUPAC name of N-(2-cyanopropyl)-3-methyl-1,2-oxazole-5-carboxamide (CID 62651855) is N-(2-cyanopropyl)-3-methyl-1,2-oxazole-5-carboxamide.
What is the SMILES notation for N-(2-cyanopropyl)-3-methyl-1,2-oxazole-5-carboxamide?
The canonical SMILES for N-(2-cyanopropyl)-3-methyl-1,2-oxazole-5-carboxamide is Cc1cc(C(=O)NCC(C)C#N)on1.
What is the InChIKey of N-(2-cyanopropyl)-3-methyl-1,2-oxazole-5-carboxamide?
The InChIKey is ADSDQOSYAYXJKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3O2/c1-6(4-10)5-11-9(13)8-3-7(2)12-14-8/h3,6H,5H2,1-2H3,(H,11,13).
What are the key properties of N-(2-cyanopropyl)-3-methyl-1,2-oxazole-5-carboxamide?
N-(2-cyanopropyl)-3-methyl-1,2-oxazole-5-carboxamide has a molecular weight of 193.21 g/mol, XLogP of 0.87, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanopropyl)-3-methyl-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 62651855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).