5-(4-methoxyphenyl)-2-[(3-pyrazol-1-ylazetidin-1-yl)methyl]-1,3-oxazole

C17H18N4O2 — CID 56781184

IUPAC5-(4-methoxyphenyl)-2-[(3-pyrazol-1-ylazetidin-1-yl)methyl]-1,3-oxazole
SMILESCOc1ccc(-c2cnc(CN3CC(n4cccn4)C3)o2)cc1
InChIInChI=1S/C17H18N4O2/c1-22-15-5-3-13(4-6-15)16-9-18-17(23-16)12-20-10-14(11-20)21-8-2-7-19-21/h2-9,14H,10-12H2,1H3
InChIKeyAGIYEWYEHHYJFJ-UHFFFAOYSA-N
MW310.36 g/mol
LogP2.60
Rot. Bonds5

About 5-(4-methoxyphenyl)-2-[(3-pyrazol-1-ylazetidin-1-yl)methyl]-1,3-oxazole

5-(4-methoxyphenyl)-2-[(3-pyrazol-1-ylazetidin-1-yl)methyl]-1,3-oxazole (PubChem CID 56781184) has the molecular formula C17H18N4O2 and a molecular weight of 310.36 g/mol. Its IUPAC name is 5-(4-methoxyphenyl)-2-[(3-pyrazol-1-ylazetidin-1-yl)methyl]-1,3-oxazole.

Molecular Properties

Compound Name5-(4-methoxyphenyl)-2-[(3-pyrazol-1-ylazetidin-1-yl)methyl]-1,3-oxazole
PubChem CID56781184
Molecular FormulaC17H18N4O2
Molecular Weight310.36 g/mol
Exact Mass310.14
IUPAC Name5-(4-methoxyphenyl)-2-[(3-pyrazol-1-ylazetidin-1-yl)methyl]-1,3-oxazole
SMILESCOc1ccc(-c2cnc(CN3CC(n4cccn4)C3)o2)cc1
InChIInChI=1S/C17H18N4O2/c1-22-15-5-3-13(4-6-15)16-9-18-17(23-16)12-20-10-14(11-20)21-8-2-7-19-21/h2-9,14H,10-12H2,1H3
InChIKeyAGIYEWYEHHYJFJ-UHFFFAOYSA-N
XLogP2.60
TPSA56.32 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.36
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(4-methoxyphenyl)-2-[(3-pyrazol-1-ylazetidin-1-yl)methyl]-1,3-oxazole?
The IUPAC name of 5-(4-methoxyphenyl)-2-[(3-pyrazol-1-ylazetidin-1-yl)methyl]-1,3-oxazole (CID 56781184) is 5-(4-methoxyphenyl)-2-[(3-pyrazol-1-ylazetidin-1-yl)methyl]-1,3-oxazole.
What is the SMILES notation for 5-(4-methoxyphenyl)-2-[(3-pyrazol-1-ylazetidin-1-yl)methyl]-1,3-oxazole?
The canonical SMILES for 5-(4-methoxyphenyl)-2-[(3-pyrazol-1-ylazetidin-1-yl)methyl]-1,3-oxazole is COc1ccc(-c2cnc(CN3CC(n4cccn4)C3)o2)cc1.
What is the InChIKey of 5-(4-methoxyphenyl)-2-[(3-pyrazol-1-ylazetidin-1-yl)methyl]-1,3-oxazole?
The InChIKey is AGIYEWYEHHYJFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O2/c1-22-15-5-3-13(4-6-15)16-9-18-17(23-16)12-20-10-14(11-20)21-8-2-7-19-21/h2-9,14H,10-12H2,1H3.
What are the key properties of 5-(4-methoxyphenyl)-2-[(3-pyrazol-1-ylazetidin-1-yl)methyl]-1,3-oxazole?
5-(4-methoxyphenyl)-2-[(3-pyrazol-1-ylazetidin-1-yl)methyl]-1,3-oxazole has a molecular weight of 310.36 g/mol, XLogP of 2.60, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methoxyphenyl)-2-[(3-pyrazol-1-ylazetidin-1-yl)methyl]-1,3-oxazole is sourced from PubChem (CID 56781184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).