4-amino-N-[2-(1-methylimidazol-2-yl)ethyl]oxane-4-carboxamide

Name: 4-amino-N-[2-(1-methylimidazol-2-yl)ethyl]oxane-4-carboxamide — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₁₂H₂₀N₄O₂ — CID 113280694

Data last refreshed: 2026-04-15 (MolForge compound catalog, from PubChem)

IUPAC4-amino-N-[2-(1-methylimidazol-2-yl)ethyl]oxane-4-carboxamide

SMILESCn1ccnc1CCNC(=O)C1(N)CCOCC1

InChIInChI=1S/C12H20N4O2/c1-16-7-6-14-10(16)2-5-15-11(17)12(13)3-8-18-9-4-12/h6-7H,2-5,8-9,13H2,1H3,(H,15,17)

InChIKeyGUNWBVHDOOKNAY-UHFFFAOYSA-N

MW252.32 g/mol

LogP-0.41

Rot. Bonds4

About 4-amino-N-[2-(1-methylimidazol-2-yl)ethyl]oxane-4-carboxamide

4-amino-N-[2-(1-methylimidazol-2-yl)ethyl]oxane-4-carboxamide (PubChem CID 113280694) has the molecular formula C₁₂H₂₀N₄O₂ and a molecular weight of 252.32 g/mol. Its IUPAC name is 4-amino-N-[2-(1-methylimidazol-2-yl)ethyl]oxane-4-carboxamide.

Molecular Properties

Compound Name	4-amino-N-[2-(1-methylimidazol-2-yl)ethyl]oxane-4-carboxamide
PubChem CID	113280694
Molecular Formula	C₁₂H₂₀N₄O₂
Molecular Weight	252.32 g/mol
Exact Mass	252.16
IUPAC Name	4-amino-N-[2-(1-methylimidazol-2-yl)ethyl]oxane-4-carboxamide
SMILES	Cn1ccnc1CCNC(=O)C1(N)CCOCC1
InChI	InChI=1S/C12H20N4O2/c1-16-7-6-14-10(16)2-5-15-11(17)12(13)3-8-18-9-4-12/h6-7H,2-5,8-9,13H2,1H3,(H,15,17)
InChIKey	GUNWBVHDOOKNAY-UHFFFAOYSA-N
XLogP	-0.41
TPSA	82.17 Å²
H-Bond Donors	2
H-Bond Acceptors	5
Rotatable Bonds	4
Heavy Atoms	18
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	252.32
LogP ≤ 5	-0.41
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[2-(1-methylimidazol-2-yl)ethyl]oxane-4-carboxamide?

The IUPAC name of 4-amino-N-[2-(1-methylimidazol-2-yl)ethyl]oxane-4-carboxamide (CID 113280694) is 4-amino-N-[2-(1-methylimidazol-2-yl)ethyl]oxane-4-carboxamide.

What is the SMILES notation for 4-amino-N-[2-(1-methylimidazol-2-yl)ethyl]oxane-4-carboxamide?

The canonical SMILES for 4-amino-N-[2-(1-methylimidazol-2-yl)ethyl]oxane-4-carboxamide is Cn1ccnc1CCNC(=O)C1(N)CCOCC1.

What is the InChIKey of 4-amino-N-[2-(1-methylimidazol-2-yl)ethyl]oxane-4-carboxamide?

The InChIKey is GUNWBVHDOOKNAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O2/c1-16-7-6-14-10(16)2-5-15-11(17)12(13)3-8-18-9-4-12/h6-7H,2-5,8-9,13H2,1H3,(H,15,17).

What are the key properties of 4-amino-N-[2-(1-methylimidazol-2-yl)ethyl]oxane-4-carboxamide?

4-amino-N-[2-(1-methylimidazol-2-yl)ethyl]oxane-4-carboxamide has a molecular weight of 252.32 g/mol, XLogP of -0.41, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 4-amino-N-[2-(1-methylimidazol-2-yl)ethyl]oxane-4-carboxamide is sourced from PubChem (CID 113280694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

PubChem CID 113280694 — identifiers, structure, computed properties (public domain)

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