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

C12H20N4O2 — CID 113280694

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 Name4-amino-N-[2-(1-methylimidazol-2-yl)ethyl]oxane-4-carboxamide
PubChem CID113280694
Molecular FormulaC12H20N4O2
Molecular Weight252.32 g/mol
Exact Mass252.16
IUPAC Name4-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
XLogP-0.41
TPSA82.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 5-0.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-amino-N-[2-(1-methylimidazol-2-yl)ethyl]cyclobutane-1-carboxamide
CID 81171638
4-[2-(1-methylimidazol-2-yl)ethylcarbamoylamino]oxane-4-carboxylic acid
CID 115293095
3-[2-(1-methylimidazol-2-yl)ethylcarbamoylamino]oxolane-3-carboxylic acid
CID 64892261
4-[2-(1-methylimidazol-2-yl)ethyl]oxan-4-ol
CID 114529027
1-(1-aminocyclopropyl)-3-(1-methylimidazol-2-yl)propan-1-one
CID 114533271
3-[2-(1-methylimidazol-2-yl)ethylamino]-3-oxopropanoic acid
CID 62232290
1-[2-(1-methylimidazol-2-yl)ethylamino]cyclopropane-1-carboxylic acid
CID 114528769
2-(1-methylimidazol-2-yl)-N-(oxan-4-ylmethyl)ethanamine
CID 62385869
2-amino-2-cyclopropyl-N-[2-(1-methylimidazol-2-yl)ethyl]propanamide
CID 61212990
1-[2-(1-methylimidazol-2-yl)ethylamino]cyclobutane-1-carboxylic acid
CID 114528794
4-[2-[(4-aminooxane-4-carbonyl)amino]ethyl]benzoic acid
CID 115294524
2-(4-chlorophenyl)-N-[2-(1-methylimidazol-2-yl)ethyl]acetamide
CID 110476101

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).