2-[2-(acetamidomethyl)-1,3-oxazol-4-yl]-1,3-oxazole-4-carboxamide

C10H10N4O4 — CID 139342045

IUPAC2-[2-(acetamidomethyl)-1,3-oxazol-4-yl]-1,3-oxazole-4-carboxamide
SMILESCC(=O)NCc1nc(-c2nc(C(N)=O)co2)co1
InChIInChI=1S/C10H10N4O4/c1-5(15)12-2-8-13-7(4-17-8)10-14-6(3-18-10)9(11)16/h3-4H,2H2,1H3,(H2,11,16)(H,12,15)
InChIKeyOEQLHLXOLFVEMJ-UHFFFAOYSA-N
MW250.21 g/mol
LogP0.06
Rot. Bonds4

About 2-[2-(acetamidomethyl)-1,3-oxazol-4-yl]-1,3-oxazole-4-carboxamide

2-[2-(acetamidomethyl)-1,3-oxazol-4-yl]-1,3-oxazole-4-carboxamide (PubChem CID 139342045) has the molecular formula C10H10N4O4 and a molecular weight of 250.21 g/mol. Its IUPAC name is 2-[2-(acetamidomethyl)-1,3-oxazol-4-yl]-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name2-[2-(acetamidomethyl)-1,3-oxazol-4-yl]-1,3-oxazole-4-carboxamide
PubChem CID139342045
Molecular FormulaC10H10N4O4
Molecular Weight250.21 g/mol
Exact Mass250.07
IUPAC Name2-[2-(acetamidomethyl)-1,3-oxazol-4-yl]-1,3-oxazole-4-carboxamide
SMILESCC(=O)NCc1nc(-c2nc(C(N)=O)co2)co1
InChIInChI=1S/C10H10N4O4/c1-5(15)12-2-8-13-7(4-17-8)10-14-6(3-18-10)9(11)16/h3-4H,2H2,1H3,(H2,11,16)(H,12,15)
InChIKeyOEQLHLXOLFVEMJ-UHFFFAOYSA-N
XLogP0.06
TPSA124.25 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.21
LogP ≤ 50.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(acetamidomethyl)-1,3-oxazol-4-yl]-1,3-oxazole-4-carboxamide?
The IUPAC name of 2-[2-(acetamidomethyl)-1,3-oxazol-4-yl]-1,3-oxazole-4-carboxamide (CID 139342045) is 2-[2-(acetamidomethyl)-1,3-oxazol-4-yl]-1,3-oxazole-4-carboxamide.
What is the SMILES notation for 2-[2-(acetamidomethyl)-1,3-oxazol-4-yl]-1,3-oxazole-4-carboxamide?
The canonical SMILES for 2-[2-(acetamidomethyl)-1,3-oxazol-4-yl]-1,3-oxazole-4-carboxamide is CC(=O)NCc1nc(-c2nc(C(N)=O)co2)co1.
What is the InChIKey of 2-[2-(acetamidomethyl)-1,3-oxazol-4-yl]-1,3-oxazole-4-carboxamide?
The InChIKey is OEQLHLXOLFVEMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N4O4/c1-5(15)12-2-8-13-7(4-17-8)10-14-6(3-18-10)9(11)16/h3-4H,2H2,1H3,(H2,11,16)(H,12,15).
What are the key properties of 2-[2-(acetamidomethyl)-1,3-oxazol-4-yl]-1,3-oxazole-4-carboxamide?
2-[2-(acetamidomethyl)-1,3-oxazol-4-yl]-1,3-oxazole-4-carboxamide has a molecular weight of 250.21 g/mol, XLogP of 0.06, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(acetamidomethyl)-1,3-oxazol-4-yl]-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 139342045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).