N-[2-(1H-imidazol-2-yl)ethyl]-3-phenyl-4,5-dihydro-1,2-oxazole-5-carboxamide

C15H16N4O2 — CID 115649628

IUPACN-[2-(1H-imidazol-2-yl)ethyl]-3-phenyl-4,5-dihydro-1,2-oxazole-5-carboxamide
SMILESO=C(NCCc1ncc[nH]1)C1CC(c2ccccc2)=NO1
InChIInChI=1S/C15H16N4O2/c20-15(18-7-6-14-16-8-9-17-14)13-10-12(19-21-13)11-4-2-1-3-5-11/h1-5,8-9,13H,6-7,10H2,(H,16,17)(H,18,20)
InChIKeyMXKHJSSYWLQBHK-UHFFFAOYSA-N
MW284.32 g/mol
LogP1.26
Rot. Bonds5

About N-[2-(1H-imidazol-2-yl)ethyl]-3-phenyl-4,5-dihydro-1,2-oxazole-5-carboxamide

N-[2-(1H-imidazol-2-yl)ethyl]-3-phenyl-4,5-dihydro-1,2-oxazole-5-carboxamide (PubChem CID 115649628) has the molecular formula C15H16N4O2 and a molecular weight of 284.32 g/mol. Its IUPAC name is N-[2-(1H-imidazol-2-yl)ethyl]-3-phenyl-4,5-dihydro-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-[2-(1H-imidazol-2-yl)ethyl]-3-phenyl-4,5-dihydro-1,2-oxazole-5-carboxamide
PubChem CID115649628
Molecular FormulaC15H16N4O2
Molecular Weight284.32 g/mol
Exact Mass284.13
IUPAC NameN-[2-(1H-imidazol-2-yl)ethyl]-3-phenyl-4,5-dihydro-1,2-oxazole-5-carboxamide
SMILESO=C(NCCc1ncc[nH]1)C1CC(c2ccccc2)=NO1
InChIInChI=1S/C15H16N4O2/c20-15(18-7-6-14-16-8-9-17-14)13-10-12(19-21-13)11-4-2-1-3-5-11/h1-5,8-9,13H,6-7,10H2,(H,16,17)(H,18,20)
InChIKeyMXKHJSSYWLQBHK-UHFFFAOYSA-N
XLogP1.26
TPSA79.37 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.32
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(1H-imidazol-2-yl)ethyl]-3-phenyl-4,5-dihydro-1,2-oxazole-5-carboxamide?
The IUPAC name of N-[2-(1H-imidazol-2-yl)ethyl]-3-phenyl-4,5-dihydro-1,2-oxazole-5-carboxamide (CID 115649628) is N-[2-(1H-imidazol-2-yl)ethyl]-3-phenyl-4,5-dihydro-1,2-oxazole-5-carboxamide.
What is the SMILES notation for N-[2-(1H-imidazol-2-yl)ethyl]-3-phenyl-4,5-dihydro-1,2-oxazole-5-carboxamide?
The canonical SMILES for N-[2-(1H-imidazol-2-yl)ethyl]-3-phenyl-4,5-dihydro-1,2-oxazole-5-carboxamide is O=C(NCCc1ncc[nH]1)C1CC(c2ccccc2)=NO1.
What is the InChIKey of N-[2-(1H-imidazol-2-yl)ethyl]-3-phenyl-4,5-dihydro-1,2-oxazole-5-carboxamide?
The InChIKey is MXKHJSSYWLQBHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O2/c20-15(18-7-6-14-16-8-9-17-14)13-10-12(19-21-13)11-4-2-1-3-5-11/h1-5,8-9,13H,6-7,10H2,(H,16,17)(H,18,20).
What are the key properties of N-[2-(1H-imidazol-2-yl)ethyl]-3-phenyl-4,5-dihydro-1,2-oxazole-5-carboxamide?
N-[2-(1H-imidazol-2-yl)ethyl]-3-phenyl-4,5-dihydro-1,2-oxazole-5-carboxamide has a molecular weight of 284.32 g/mol, XLogP of 1.26, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1H-imidazol-2-yl)ethyl]-3-phenyl-4,5-dihydro-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 115649628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).