4-(aminomethyl)-1,2-oxazole-3-carboxamide

C5H7N3O2 — CID 68842774

IUPAC4-(aminomethyl)-1,2-oxazole-3-carboxamide
SMILESNCc1conc1C(N)=O
InChIInChI=1S/C5H7N3O2/c6-1-3-2-10-8-4(3)5(7)9/h2H,1,6H2,(H2,7,9)
InChIKeyOYVVJROOYCCKRR-UHFFFAOYSA-N
MW141.13 g/mol
LogP-0.77
Rot. Bonds2

About 4-(aminomethyl)-1,2-oxazole-3-carboxamide

4-(aminomethyl)-1,2-oxazole-3-carboxamide (PubChem CID 68842774) has the molecular formula C5H7N3O2 and a molecular weight of 141.13 g/mol. Its IUPAC name is 4-(aminomethyl)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name4-(aminomethyl)-1,2-oxazole-3-carboxamide
PubChem CID68842774
Molecular FormulaC5H7N3O2
Molecular Weight141.13 g/mol
Exact Mass141.05
IUPAC Name4-(aminomethyl)-1,2-oxazole-3-carboxamide
SMILESNCc1conc1C(N)=O
InChIInChI=1S/C5H7N3O2/c6-1-3-2-10-8-4(3)5(7)9/h2H,1,6H2,(H2,7,9)
InChIKeyOYVVJROOYCCKRR-UHFFFAOYSA-N
XLogP-0.77
TPSA95.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.13
LogP ≤ 5-0.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(3-Methyl-1,2-oxazol-4-yl)methanamine
CID 53393483
(4-Methyl-1,2-oxazol-3-yl)methanamine
CID 68698791
7-Oxo-6,7-dihydroisoxazolo[3,4-d]pyridazine
CID 53637160
3,4-Isoxazolediamide
CID 67849858
4-(Aminomethyl)-1,2-oxazole-3-carboxamide;2,2,2-trifluoroacetic acid
CID 68842773
4H-[1,2]oxazolo[3,4-d]pyridazin-7-one;2,2,2-trifluoroacetic acid
CID 68897306
[3-(Trifluoromethyl)-1,2-oxazol-4-yl]methanamine
CID 82414382
4-(Trifluoromethyl)-1,2-oxazole-3-carboxamide
CID 138559843
4-(2,2,2-Trifluoroethyl)-1,2-oxazole-3-carboxamide
CID 141281509
4-Fluoro-1,2-oxazole-3-carboxamide
CID 154036926
4-(2,2-Difluoroethyl)-1,2-oxazole-3-carboxamide
CID 156895385
4-Aminoisoxazole-3-carboxamide
CID 129878640

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-1,2-oxazole-3-carboxamide?
The IUPAC name of 4-(aminomethyl)-1,2-oxazole-3-carboxamide (CID 68842774) is 4-(aminomethyl)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 4-(aminomethyl)-1,2-oxazole-3-carboxamide?
The canonical SMILES for 4-(aminomethyl)-1,2-oxazole-3-carboxamide is NCc1conc1C(N)=O.
What is the InChIKey of 4-(aminomethyl)-1,2-oxazole-3-carboxamide?
The InChIKey is OYVVJROOYCCKRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7N3O2/c6-1-3-2-10-8-4(3)5(7)9/h2H,1,6H2,(H2,7,9).
What are the key properties of 4-(aminomethyl)-1,2-oxazole-3-carboxamide?
4-(aminomethyl)-1,2-oxazole-3-carboxamide has a molecular weight of 141.13 g/mol, XLogP of -0.77, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 68842774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).