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

C7H9N3O2 — CID 58431201

IUPAC2-(1-aminocyclopropyl)-1,3-oxazole-4-carboxamide
SMILESNC(=O)c1coc(C2(N)CC2)n1
InChIInChI=1S/C7H9N3O2/c8-5(11)4-3-12-6(10-4)7(9)1-2-7/h3H,1-2,9H2,(H2,8,11)
InChIKeyIQHKWHWKZHMDJD-UHFFFAOYSA-N
MW167.17 g/mol
LogP-0.28
Rot. Bonds2

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

2-(1-aminocyclopropyl)-1,3-oxazole-4-carboxamide (PubChem CID 58431201) has the molecular formula C7H9N3O2 and a molecular weight of 167.17 g/mol. Its IUPAC name is 2-(1-aminocyclopropyl)-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name2-(1-aminocyclopropyl)-1,3-oxazole-4-carboxamide
PubChem CID58431201
Molecular FormulaC7H9N3O2
Molecular Weight167.17 g/mol
Exact Mass167.07
IUPAC Name2-(1-aminocyclopropyl)-1,3-oxazole-4-carboxamide
SMILESNC(=O)c1coc(C2(N)CC2)n1
InChIInChI=1S/C7H9N3O2/c8-5(11)4-3-12-6(10-4)7(9)1-2-7/h3H,1-2,9H2,(H2,8,11)
InChIKeyIQHKWHWKZHMDJD-UHFFFAOYSA-N
XLogP-0.28
TPSA95.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.17
LogP ≤ 5-0.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(1-aminocyclopropyl)-1,3-oxazole-4-carboxamide?
The IUPAC name of 2-(1-aminocyclopropyl)-1,3-oxazole-4-carboxamide (CID 58431201) is 2-(1-aminocyclopropyl)-1,3-oxazole-4-carboxamide.
What is the SMILES notation for 2-(1-aminocyclopropyl)-1,3-oxazole-4-carboxamide?
The canonical SMILES for 2-(1-aminocyclopropyl)-1,3-oxazole-4-carboxamide is NC(=O)c1coc(C2(N)CC2)n1.
What is the InChIKey of 2-(1-aminocyclopropyl)-1,3-oxazole-4-carboxamide?
The InChIKey is IQHKWHWKZHMDJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N3O2/c8-5(11)4-3-12-6(10-4)7(9)1-2-7/h3H,1-2,9H2,(H2,8,11).
What are the key properties of 2-(1-aminocyclopropyl)-1,3-oxazole-4-carboxamide?
2-(1-aminocyclopropyl)-1,3-oxazole-4-carboxamide has a molecular weight of 167.17 g/mol, XLogP of -0.28, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-aminocyclopropyl)-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 58431201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).