N-(2-aminoethyl)-3-methyl-1,2-oxazole-4-carboxamide

C7H11N3O2 — CID 83617546

IUPACN-(2-aminoethyl)-3-methyl-1,2-oxazole-4-carboxamide
SMILESCc1nocc1C(=O)NCCN
InChIInChI=1S/C7H11N3O2/c1-5-6(4-12-10-5)7(11)9-3-2-8/h4H,2-3,8H2,1H3,(H,9,11)
InChIKeyDUIIFCKQHOJKOI-UHFFFAOYSA-N
MW169.18 g/mol
LogP-0.33
Rot. Bonds3

About N-(2-aminoethyl)-3-methyl-1,2-oxazole-4-carboxamide

N-(2-aminoethyl)-3-methyl-1,2-oxazole-4-carboxamide (PubChem CID 83617546) has the molecular formula C7H11N3O2 and a molecular weight of 169.18 g/mol. Its IUPAC name is N-(2-aminoethyl)-3-methyl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-3-methyl-1,2-oxazole-4-carboxamide
PubChem CID83617546
Molecular FormulaC7H11N3O2
Molecular Weight169.18 g/mol
Exact Mass169.09
IUPAC NameN-(2-aminoethyl)-3-methyl-1,2-oxazole-4-carboxamide
SMILESCc1nocc1C(=O)NCCN
InChIInChI=1S/C7H11N3O2/c1-5-6(4-12-10-5)7(11)9-3-2-8/h4H,2-3,8H2,1H3,(H,9,11)
InChIKeyDUIIFCKQHOJKOI-UHFFFAOYSA-N
XLogP-0.33
TPSA81.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.18
LogP ≤ 5-0.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-aminoethyl)-4-methyl-1,2-oxazole-3-carboxamide
CID 83617532
N-[2-(cyclohexen-1-yl)ethyl]-3-methyl-1,2-oxazole-4-carboxamide
CID 110849125
N-(3-aminopropyl)-2-(3-methyl-1,2-oxazol-4-yl)acetamide
CID 83617752
N-[2-(4-bromophenyl)propyl]-3-methyl-1,2-oxazole-4-carboxamide
CID 138024898
N-(2,5-dimethylphenyl)-3-methyl-1,2-oxazole-4-carboxamide
CID 110857256
N-(2-aminoethyl)-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide
CID 119382029
N-(2-aminoethyl)-2-(4-methyl-1,3-oxazol-2-yl)acetamide
CID 83617653
5-amino-N-(2-aminoethyl)-1H-pyrazole-4-carboxamide
CID 110484096
1-N,3-N-bis(2-aminoethyl)-2-hydroxybenzene-1,3-dicarboxamide
CID 12964331
N-(2-aminoethyl)-6-(2,5-dimethylfuran-3-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 119383829
N-(2-aminoethyl)-2-fluoro-4,5-dimethoxybenzamide
CID 119382400
N-(2-aminoethyl)-2-bromo-5-methylthiophene-3-carboxamide
CID 119384710

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-3-methyl-1,2-oxazole-4-carboxamide?
The IUPAC name of N-(2-aminoethyl)-3-methyl-1,2-oxazole-4-carboxamide (CID 83617546) is N-(2-aminoethyl)-3-methyl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for N-(2-aminoethyl)-3-methyl-1,2-oxazole-4-carboxamide?
The canonical SMILES for N-(2-aminoethyl)-3-methyl-1,2-oxazole-4-carboxamide is Cc1nocc1C(=O)NCCN.
What is the InChIKey of N-(2-aminoethyl)-3-methyl-1,2-oxazole-4-carboxamide?
The InChIKey is DUIIFCKQHOJKOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3O2/c1-5-6(4-12-10-5)7(11)9-3-2-8/h4H,2-3,8H2,1H3,(H,9,11).
What are the key properties of N-(2-aminoethyl)-3-methyl-1,2-oxazole-4-carboxamide?
N-(2-aminoethyl)-3-methyl-1,2-oxazole-4-carboxamide has a molecular weight of 169.18 g/mol, XLogP of -0.33, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-3-methyl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 83617546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).