N-(1H-imidazol-2-ylmethyl)-3-[(5-phenyl-1,2-oxazol-3-yl)methyl]oxetan-3-amine

C17H18N4O2 — CID 56775578

IUPACN-(1H-imidazol-2-ylmethyl)-3-[(5-phenyl-1,2-oxazol-3-yl)methyl]oxetan-3-amine
SMILESc1ccc(-c2cc(CC3(NCc4ncc[nH]4)COC3)no2)cc1
InChIInChI=1S/C17H18N4O2/c1-2-4-13(5-3-1)15-8-14(21-23-15)9-17(11-22-12-17)20-10-16-18-6-7-19-16/h1-8,20H,9-12H2,(H,18,19)
InChIKeyXJJRJAKTBGJMJO-UHFFFAOYSA-N
MW310.36 g/mol
LogP2.17
Rot. Bonds6

About N-(1H-imidazol-2-ylmethyl)-3-[(5-phenyl-1,2-oxazol-3-yl)methyl]oxetan-3-amine

N-(1H-imidazol-2-ylmethyl)-3-[(5-phenyl-1,2-oxazol-3-yl)methyl]oxetan-3-amine (PubChem CID 56775578) has the molecular formula C17H18N4O2 and a molecular weight of 310.36 g/mol. Its IUPAC name is N-(1H-imidazol-2-ylmethyl)-3-[(5-phenyl-1,2-oxazol-3-yl)methyl]oxetan-3-amine.

Molecular Properties

Compound NameN-(1H-imidazol-2-ylmethyl)-3-[(5-phenyl-1,2-oxazol-3-yl)methyl]oxetan-3-amine
PubChem CID56775578
Molecular FormulaC17H18N4O2
Molecular Weight310.36 g/mol
Exact Mass310.14
IUPAC NameN-(1H-imidazol-2-ylmethyl)-3-[(5-phenyl-1,2-oxazol-3-yl)methyl]oxetan-3-amine
SMILESc1ccc(-c2cc(CC3(NCc4ncc[nH]4)COC3)no2)cc1
InChIInChI=1S/C17H18N4O2/c1-2-4-13(5-3-1)15-8-14(21-23-15)9-17(11-22-12-17)20-10-16-18-6-7-19-16/h1-8,20H,9-12H2,(H,18,19)
InChIKeyXJJRJAKTBGJMJO-UHFFFAOYSA-N
XLogP2.17
TPSA75.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.36
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1H-imidazol-2-ylmethyl)-3-[(5-phenyl-1,2-oxazol-3-yl)methyl]oxetan-3-amine?
The IUPAC name of N-(1H-imidazol-2-ylmethyl)-3-[(5-phenyl-1,2-oxazol-3-yl)methyl]oxetan-3-amine (CID 56775578) is N-(1H-imidazol-2-ylmethyl)-3-[(5-phenyl-1,2-oxazol-3-yl)methyl]oxetan-3-amine.
What is the SMILES notation for N-(1H-imidazol-2-ylmethyl)-3-[(5-phenyl-1,2-oxazol-3-yl)methyl]oxetan-3-amine?
The canonical SMILES for N-(1H-imidazol-2-ylmethyl)-3-[(5-phenyl-1,2-oxazol-3-yl)methyl]oxetan-3-amine is c1ccc(-c2cc(CC3(NCc4ncc[nH]4)COC3)no2)cc1.
What is the InChIKey of N-(1H-imidazol-2-ylmethyl)-3-[(5-phenyl-1,2-oxazol-3-yl)methyl]oxetan-3-amine?
The InChIKey is XJJRJAKTBGJMJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O2/c1-2-4-13(5-3-1)15-8-14(21-23-15)9-17(11-22-12-17)20-10-16-18-6-7-19-16/h1-8,20H,9-12H2,(H,18,19).
What are the key properties of N-(1H-imidazol-2-ylmethyl)-3-[(5-phenyl-1,2-oxazol-3-yl)methyl]oxetan-3-amine?
N-(1H-imidazol-2-ylmethyl)-3-[(5-phenyl-1,2-oxazol-3-yl)methyl]oxetan-3-amine has a molecular weight of 310.36 g/mol, XLogP of 2.17, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-imidazol-2-ylmethyl)-3-[(5-phenyl-1,2-oxazol-3-yl)methyl]oxetan-3-amine is sourced from PubChem (CID 56775578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).