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

C7H11N3O2 — CID 83617532

IUPACN-(2-aminoethyl)-4-methyl-1,2-oxazole-3-carboxamide
SMILESCc1conc1C(=O)NCCN
InChIInChI=1S/C7H11N3O2/c1-5-4-12-10-6(5)7(11)9-3-2-8/h4H,2-3,8H2,1H3,(H,9,11)
InChIKeyZBIFTWKULOSNQA-UHFFFAOYSA-N
MW169.18 g/mol
LogP-0.33
Rot. Bonds3

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

N-(2-aminoethyl)-4-methyl-1,2-oxazole-3-carboxamide (PubChem CID 83617532) has the molecular formula C7H11N3O2 and a molecular weight of 169.18 g/mol. Its IUPAC name is N-(2-aminoethyl)-4-methyl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-4-methyl-1,2-oxazole-3-carboxamide
PubChem CID83617532
Molecular FormulaC7H11N3O2
Molecular Weight169.18 g/mol
Exact Mass169.09
IUPAC NameN-(2-aminoethyl)-4-methyl-1,2-oxazole-3-carboxamide
SMILESCc1conc1C(=O)NCCN
InChIInChI=1S/C7H11N3O2/c1-5-4-12-10-6(5)7(11)9-3-2-8/h4H,2-3,8H2,1H3,(H,9,11)
InChIKeyZBIFTWKULOSNQA-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)-3-methyl-1,2-oxazole-4-carboxamide
CID 83617546
4-methyl-N-(2-oxoethyl)-1,2-oxazole-3-carboxamide
CID 178028461
N,N,4-trimethyl-1,2-oxazole-3-carboxamide
CID 154265321
N-(2-aminoethyl)-1,4-dimethylpyrazole-3-carboxamide
CID 83617588
N-(2-aminoethyl)-2-(4-methyl-1,3-oxazol-2-yl)acetamide
CID 83617653
N-(1,3-benzodioxol-5-ylmethyl)-4-methyl-1,2-oxazole-3-carboxamide
CID 110851669
N-(3-aminopropyl)-2-(3-methyl-1,2-oxazol-4-yl)acetamide
CID 83617752
N-(2-aminoethyl)-5-methyl-1,3,4-thiadiazole-2-carboxamide
CID 53397288
1-N,3-N,5-N-tris(2-aminoethyl)benzene-1,3,5-tricarboxamide
CID 23569595
1-N,4-N-bis(2-aminoethyl)benzene-1,4-dicarboxamide
CID 58098446
N-(2-aminoethyl)-3-(4-methylphenyl)-1,2,4-oxadiazole-5-carboxamide
CID 19576133
N-(2-aminoethyl)-4-methyl-3-(3-methylbut-2-en-2-yl)benzamide
CID 156841315

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-4-methyl-1,2-oxazole-3-carboxamide?
The IUPAC name of N-(2-aminoethyl)-4-methyl-1,2-oxazole-3-carboxamide (CID 83617532) is N-(2-aminoethyl)-4-methyl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-(2-aminoethyl)-4-methyl-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-(2-aminoethyl)-4-methyl-1,2-oxazole-3-carboxamide is Cc1conc1C(=O)NCCN.
What is the InChIKey of N-(2-aminoethyl)-4-methyl-1,2-oxazole-3-carboxamide?
The InChIKey is ZBIFTWKULOSNQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3O2/c1-5-4-12-10-6(5)7(11)9-3-2-8/h4H,2-3,8H2,1H3,(H,9,11).
What are the key properties of N-(2-aminoethyl)-4-methyl-1,2-oxazole-3-carboxamide?
N-(2-aminoethyl)-4-methyl-1,2-oxazole-3-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)-4-methyl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 83617532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).