N-[2-(2-methylimidazol-1-yl)ethyl]-1-(5-methyl-1,2-oxazole-3-carbonyl)azetidine-3-carboxamide

C15H19N5O3 — CID 90511282

IUPACN-[2-(2-methylimidazol-1-yl)ethyl]-1-(5-methyl-1,2-oxazole-3-carbonyl)azetidine-3-carboxamide
SMILESCc1cc(C(=O)N2CC(C(=O)NCCn3ccnc3C)C2)no1
InChIInChI=1S/C15H19N5O3/c1-10-7-13(18-23-10)15(22)20-8-12(9-20)14(21)17-4-6-19-5-3-16-11(19)2/h3,5,7,12H,4,6,8-9H2,1-2H3,(H,17,21)
InChIKeyJBUOYLWZTGATES-UHFFFAOYSA-N
MW317.35 g/mol
LogP0.38
Rot. Bonds5

About N-[2-(2-methylimidazol-1-yl)ethyl]-1-(5-methyl-1,2-oxazole-3-carbonyl)azetidine-3-carboxamide

N-[2-(2-methylimidazol-1-yl)ethyl]-1-(5-methyl-1,2-oxazole-3-carbonyl)azetidine-3-carboxamide (PubChem CID 90511282) has the molecular formula C15H19N5O3 and a molecular weight of 317.35 g/mol. Its IUPAC name is N-[2-(2-methylimidazol-1-yl)ethyl]-1-(5-methyl-1,2-oxazole-3-carbonyl)azetidine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(2-methylimidazol-1-yl)ethyl]-1-(5-methyl-1,2-oxazole-3-carbonyl)azetidine-3-carboxamide
PubChem CID90511282
Molecular FormulaC15H19N5O3
Molecular Weight317.35 g/mol
Exact Mass317.15
IUPAC NameN-[2-(2-methylimidazol-1-yl)ethyl]-1-(5-methyl-1,2-oxazole-3-carbonyl)azetidine-3-carboxamide
SMILESCc1cc(C(=O)N2CC(C(=O)NCCn3ccnc3C)C2)no1
InChIInChI=1S/C15H19N5O3/c1-10-7-13(18-23-10)15(22)20-8-12(9-20)14(21)17-4-6-19-5-3-16-11(19)2/h3,5,7,12H,4,6,8-9H2,1-2H3,(H,17,21)
InChIKeyJBUOYLWZTGATES-UHFFFAOYSA-N
XLogP0.38
TPSA93.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.35
LogP ≤ 50.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methylimidazol-1-yl)ethyl]-1-(5-methyl-1,2-oxazole-3-carbonyl)azetidine-3-carboxamide?
The IUPAC name of N-[2-(2-methylimidazol-1-yl)ethyl]-1-(5-methyl-1,2-oxazole-3-carbonyl)azetidine-3-carboxamide (CID 90511282) is N-[2-(2-methylimidazol-1-yl)ethyl]-1-(5-methyl-1,2-oxazole-3-carbonyl)azetidine-3-carboxamide.
What is the SMILES notation for N-[2-(2-methylimidazol-1-yl)ethyl]-1-(5-methyl-1,2-oxazole-3-carbonyl)azetidine-3-carboxamide?
The canonical SMILES for N-[2-(2-methylimidazol-1-yl)ethyl]-1-(5-methyl-1,2-oxazole-3-carbonyl)azetidine-3-carboxamide is Cc1cc(C(=O)N2CC(C(=O)NCCn3ccnc3C)C2)no1.
What is the InChIKey of N-[2-(2-methylimidazol-1-yl)ethyl]-1-(5-methyl-1,2-oxazole-3-carbonyl)azetidine-3-carboxamide?
The InChIKey is JBUOYLWZTGATES-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5O3/c1-10-7-13(18-23-10)15(22)20-8-12(9-20)14(21)17-4-6-19-5-3-16-11(19)2/h3,5,7,12H,4,6,8-9H2,1-2H3,(H,17,21).
What are the key properties of N-[2-(2-methylimidazol-1-yl)ethyl]-1-(5-methyl-1,2-oxazole-3-carbonyl)azetidine-3-carboxamide?
N-[2-(2-methylimidazol-1-yl)ethyl]-1-(5-methyl-1,2-oxazole-3-carbonyl)azetidine-3-carboxamide has a molecular weight of 317.35 g/mol, XLogP of 0.38, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methylimidazol-1-yl)ethyl]-1-(5-methyl-1,2-oxazole-3-carbonyl)azetidine-3-carboxamide is sourced from PubChem (CID 90511282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).