N-[2-(1H-imidazol-2-yl)ethyl]oxane-2-carboxamide

C11H17N3O2 — CID 115747744

IUPACN-[2-(1H-imidazol-2-yl)ethyl]oxane-2-carboxamide
SMILESO=C(NCCc1ncc[nH]1)C1CCCCO1
InChIInChI=1S/C11H17N3O2/c15-11(9-3-1-2-8-16-9)14-5-4-10-12-6-7-13-10/h6-7,9H,1-5,8H2,(H,12,13)(H,14,15)
InChIKeyPYPUWHFBBJOPCU-UHFFFAOYSA-N
MW223.28 g/mol
LogP0.64
Rot. Bonds4

About N-[2-(1H-imidazol-2-yl)ethyl]oxane-2-carboxamide

N-[2-(1H-imidazol-2-yl)ethyl]oxane-2-carboxamide (PubChem CID 115747744) has the molecular formula C11H17N3O2 and a molecular weight of 223.28 g/mol. Its IUPAC name is N-[2-(1H-imidazol-2-yl)ethyl]oxane-2-carboxamide.

Molecular Properties

Compound NameN-[2-(1H-imidazol-2-yl)ethyl]oxane-2-carboxamide
PubChem CID115747744
Molecular FormulaC11H17N3O2
Molecular Weight223.28 g/mol
Exact Mass223.13
IUPAC NameN-[2-(1H-imidazol-2-yl)ethyl]oxane-2-carboxamide
SMILESO=C(NCCc1ncc[nH]1)C1CCCCO1
InChIInChI=1S/C11H17N3O2/c15-11(9-3-1-2-8-16-9)14-5-4-10-12-6-7-13-10/h6-7,9H,1-5,8H2,(H,12,13)(H,14,15)
InChIKeyPYPUWHFBBJOPCU-UHFFFAOYSA-N
XLogP0.64
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 50.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(1H-imidazol-2-yl)ethyl]oxane-2-carboxamide?
The IUPAC name of N-[2-(1H-imidazol-2-yl)ethyl]oxane-2-carboxamide (CID 115747744) is N-[2-(1H-imidazol-2-yl)ethyl]oxane-2-carboxamide.
What is the SMILES notation for N-[2-(1H-imidazol-2-yl)ethyl]oxane-2-carboxamide?
The canonical SMILES for N-[2-(1H-imidazol-2-yl)ethyl]oxane-2-carboxamide is O=C(NCCc1ncc[nH]1)C1CCCCO1.
What is the InChIKey of N-[2-(1H-imidazol-2-yl)ethyl]oxane-2-carboxamide?
The InChIKey is PYPUWHFBBJOPCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2/c15-11(9-3-1-2-8-16-9)14-5-4-10-12-6-7-13-10/h6-7,9H,1-5,8H2,(H,12,13)(H,14,15).
What are the key properties of N-[2-(1H-imidazol-2-yl)ethyl]oxane-2-carboxamide?
N-[2-(1H-imidazol-2-yl)ethyl]oxane-2-carboxamide has a molecular weight of 223.28 g/mol, XLogP of 0.64, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1H-imidazol-2-yl)ethyl]oxane-2-carboxamide is sourced from PubChem (CID 115747744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).