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

C7H9N3O3 — CID 139342044

IUPAC2-(acetamidomethyl)-1,3-oxazole-4-carboxamide
SMILESCC(=O)NCc1nc(C(N)=O)co1
InChIInChI=1S/C7H9N3O3/c1-4(11)9-2-6-10-5(3-13-6)7(8)12/h3H,2H2,1H3,(H2,8,12)(H,9,11)
InChIKeyFXQLATGJBKJROM-UHFFFAOYSA-N
MW183.17 g/mol
LogP-0.59
Rot. Bonds3

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

2-(acetamidomethyl)-1,3-oxazole-4-carboxamide (PubChem CID 139342044) has the molecular formula C7H9N3O3 and a molecular weight of 183.17 g/mol. Its IUPAC name is 2-(acetamidomethyl)-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name2-(acetamidomethyl)-1,3-oxazole-4-carboxamide
PubChem CID139342044
Molecular FormulaC7H9N3O3
Molecular Weight183.17 g/mol
Exact Mass183.06
IUPAC Name2-(acetamidomethyl)-1,3-oxazole-4-carboxamide
SMILESCC(=O)NCc1nc(C(N)=O)co1
InChIInChI=1S/C7H9N3O3/c1-4(11)9-2-6-10-5(3-13-6)7(8)12/h3H,2H2,1H3,(H2,8,12)(H,9,11)
InChIKeyFXQLATGJBKJROM-UHFFFAOYSA-N
XLogP-0.59
TPSA98.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.17
LogP ≤ 5-0.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(acetamidomethyl)-1,3-oxazole-4-carboxamide?
The IUPAC name of 2-(acetamidomethyl)-1,3-oxazole-4-carboxamide (CID 139342044) is 2-(acetamidomethyl)-1,3-oxazole-4-carboxamide.
What is the SMILES notation for 2-(acetamidomethyl)-1,3-oxazole-4-carboxamide?
The canonical SMILES for 2-(acetamidomethyl)-1,3-oxazole-4-carboxamide is CC(=O)NCc1nc(C(N)=O)co1.
What is the InChIKey of 2-(acetamidomethyl)-1,3-oxazole-4-carboxamide?
The InChIKey is FXQLATGJBKJROM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N3O3/c1-4(11)9-2-6-10-5(3-13-6)7(8)12/h3H,2H2,1H3,(H2,8,12)(H,9,11).
What are the key properties of 2-(acetamidomethyl)-1,3-oxazole-4-carboxamide?
2-(acetamidomethyl)-1,3-oxazole-4-carboxamide has a molecular weight of 183.17 g/mol, XLogP of -0.59, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(acetamidomethyl)-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 139342044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).