2-ethyl-N-[2-(methylamino)ethyl]-1,3-oxazole-5-carboxamide

C9H15N3O2 — CID 21050599

IUPAC2-ethyl-N-[2-(methylamino)ethyl]-1,3-oxazole-5-carboxamide
SMILESCCc1ncc(C(=O)NCCNC)o1
InChIInChI=1S/C9H15N3O2/c1-3-8-12-6-7(14-8)9(13)11-5-4-10-2/h6,10H,3-5H2,1-2H3,(H,11,13)
InChIKeyFBYILKCBKMVNIW-UHFFFAOYSA-N
MW197.24 g/mol
LogP0.19
Rot. Bonds5

About 2-ethyl-N-[2-(methylamino)ethyl]-1,3-oxazole-5-carboxamide

2-ethyl-N-[2-(methylamino)ethyl]-1,3-oxazole-5-carboxamide (PubChem CID 21050599) has the molecular formula C9H15N3O2 and a molecular weight of 197.24 g/mol. Its IUPAC name is 2-ethyl-N-[2-(methylamino)ethyl]-1,3-oxazole-5-carboxamide.

Molecular Properties

Compound Name2-ethyl-N-[2-(methylamino)ethyl]-1,3-oxazole-5-carboxamide
PubChem CID21050599
Molecular FormulaC9H15N3O2
Molecular Weight197.24 g/mol
Exact Mass197.12
IUPAC Name2-ethyl-N-[2-(methylamino)ethyl]-1,3-oxazole-5-carboxamide
SMILESCCc1ncc(C(=O)NCCNC)o1
InChIInChI=1S/C9H15N3O2/c1-3-8-12-6-7(14-8)9(13)11-5-4-10-2/h6,10H,3-5H2,1-2H3,(H,11,13)
InChIKeyFBYILKCBKMVNIW-UHFFFAOYSA-N
XLogP0.19
TPSA67.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.24
LogP ≤ 50.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-[2-(methylamino)ethyl]-1,3-oxazole-5-carboxamide?
The IUPAC name of 2-ethyl-N-[2-(methylamino)ethyl]-1,3-oxazole-5-carboxamide (CID 21050599) is 2-ethyl-N-[2-(methylamino)ethyl]-1,3-oxazole-5-carboxamide.
What is the SMILES notation for 2-ethyl-N-[2-(methylamino)ethyl]-1,3-oxazole-5-carboxamide?
The canonical SMILES for 2-ethyl-N-[2-(methylamino)ethyl]-1,3-oxazole-5-carboxamide is CCc1ncc(C(=O)NCCNC)o1.
What is the InChIKey of 2-ethyl-N-[2-(methylamino)ethyl]-1,3-oxazole-5-carboxamide?
The InChIKey is FBYILKCBKMVNIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O2/c1-3-8-12-6-7(14-8)9(13)11-5-4-10-2/h6,10H,3-5H2,1-2H3,(H,11,13).
What are the key properties of 2-ethyl-N-[2-(methylamino)ethyl]-1,3-oxazole-5-carboxamide?
2-ethyl-N-[2-(methylamino)ethyl]-1,3-oxazole-5-carboxamide has a molecular weight of 197.24 g/mol, XLogP of 0.19, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-[2-(methylamino)ethyl]-1,3-oxazole-5-carboxamide is sourced from PubChem (CID 21050599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).