N-[2-(methylamino)-2-oxoethyl]-2,5-dihydro-1,2-oxazole-5-carboxamide

C7H11N3O3 — CID 91259785

IUPACN-[2-(methylamino)-2-oxoethyl]-2,5-dihydro-1,2-oxazole-5-carboxamide
SMILESCNC(=O)CNC(=O)C1C=CNO1
InChIInChI=1S/C7H11N3O3/c1-8-6(11)4-9-7(12)5-2-3-10-13-5/h2-3,5,10H,4H2,1H3,(H,8,11)(H,9,12)
InChIKeyXQTXILYZULECNF-UHFFFAOYSA-N
MW185.18 g/mol
LogP-1.73
Rot. Bonds3

About N-[2-(methylamino)-2-oxoethyl]-2,5-dihydro-1,2-oxazole-5-carboxamide

N-[2-(methylamino)-2-oxoethyl]-2,5-dihydro-1,2-oxazole-5-carboxamide (PubChem CID 91259785) has the molecular formula C7H11N3O3 and a molecular weight of 185.18 g/mol. Its IUPAC name is N-[2-(methylamino)-2-oxoethyl]-2,5-dihydro-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-[2-(methylamino)-2-oxoethyl]-2,5-dihydro-1,2-oxazole-5-carboxamide
PubChem CID91259785
Molecular FormulaC7H11N3O3
Molecular Weight185.18 g/mol
Exact Mass185.08
IUPAC NameN-[2-(methylamino)-2-oxoethyl]-2,5-dihydro-1,2-oxazole-5-carboxamide
SMILESCNC(=O)CNC(=O)C1C=CNO1
InChIInChI=1S/C7H11N3O3/c1-8-6(11)4-9-7(12)5-2-3-10-13-5/h2-3,5,10H,4H2,1H3,(H,8,11)(H,9,12)
InChIKeyXQTXILYZULECNF-UHFFFAOYSA-N
XLogP-1.73
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.18
LogP ≤ 5-1.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(methylamino)-2-oxoethyl]-2,5-dihydro-1,2-oxazole-5-carboxamide?
The IUPAC name of N-[2-(methylamino)-2-oxoethyl]-2,5-dihydro-1,2-oxazole-5-carboxamide (CID 91259785) is N-[2-(methylamino)-2-oxoethyl]-2,5-dihydro-1,2-oxazole-5-carboxamide.
What is the SMILES notation for N-[2-(methylamino)-2-oxoethyl]-2,5-dihydro-1,2-oxazole-5-carboxamide?
The canonical SMILES for N-[2-(methylamino)-2-oxoethyl]-2,5-dihydro-1,2-oxazole-5-carboxamide is CNC(=O)CNC(=O)C1C=CNO1.
What is the InChIKey of N-[2-(methylamino)-2-oxoethyl]-2,5-dihydro-1,2-oxazole-5-carboxamide?
The InChIKey is XQTXILYZULECNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3O3/c1-8-6(11)4-9-7(12)5-2-3-10-13-5/h2-3,5,10H,4H2,1H3,(H,8,11)(H,9,12).
What are the key properties of N-[2-(methylamino)-2-oxoethyl]-2,5-dihydro-1,2-oxazole-5-carboxamide?
N-[2-(methylamino)-2-oxoethyl]-2,5-dihydro-1,2-oxazole-5-carboxamide has a molecular weight of 185.18 g/mol, XLogP of -1.73, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(methylamino)-2-oxoethyl]-2,5-dihydro-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 91259785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).