4-(imidazol-1-ylmethyl)-2-(4-methoxyphenyl)-1,3-oxazole

C14H13N3O2 — CID 47281616

IUPAC4-(imidazol-1-ylmethyl)-2-(4-methoxyphenyl)-1,3-oxazole
SMILESCOc1ccc(-c2nc(Cn3ccnc3)co2)cc1
InChIInChI=1S/C14H13N3O2/c1-18-13-4-2-11(3-5-13)14-16-12(9-19-14)8-17-7-6-15-10-17/h2-7,9-10H,8H2,1H3
InChIKeyVYXLQKABAKLGTK-UHFFFAOYSA-N
MW255.28 g/mol
LogP2.60
Rot. Bonds4

About 4-(imidazol-1-ylmethyl)-2-(4-methoxyphenyl)-1,3-oxazole

4-(imidazol-1-ylmethyl)-2-(4-methoxyphenyl)-1,3-oxazole (PubChem CID 47281616) has the molecular formula C14H13N3O2 and a molecular weight of 255.28 g/mol. Its IUPAC name is 4-(imidazol-1-ylmethyl)-2-(4-methoxyphenyl)-1,3-oxazole.

Molecular Properties

Compound Name4-(imidazol-1-ylmethyl)-2-(4-methoxyphenyl)-1,3-oxazole
PubChem CID47281616
Molecular FormulaC14H13N3O2
Molecular Weight255.28 g/mol
Exact Mass255.10
IUPAC Name4-(imidazol-1-ylmethyl)-2-(4-methoxyphenyl)-1,3-oxazole
SMILESCOc1ccc(-c2nc(Cn3ccnc3)co2)cc1
InChIInChI=1S/C14H13N3O2/c1-18-13-4-2-11(3-5-13)14-16-12(9-19-14)8-17-7-6-15-10-17/h2-7,9-10H,8H2,1H3
InChIKeyVYXLQKABAKLGTK-UHFFFAOYSA-N
XLogP2.60
TPSA53.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.28
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(imidazol-1-ylmethyl)-2-(4-methoxyphenyl)-1,3-oxazole?
The IUPAC name of 4-(imidazol-1-ylmethyl)-2-(4-methoxyphenyl)-1,3-oxazole (CID 47281616) is 4-(imidazol-1-ylmethyl)-2-(4-methoxyphenyl)-1,3-oxazole.
What is the SMILES notation for 4-(imidazol-1-ylmethyl)-2-(4-methoxyphenyl)-1,3-oxazole?
The canonical SMILES for 4-(imidazol-1-ylmethyl)-2-(4-methoxyphenyl)-1,3-oxazole is COc1ccc(-c2nc(Cn3ccnc3)co2)cc1.
What is the InChIKey of 4-(imidazol-1-ylmethyl)-2-(4-methoxyphenyl)-1,3-oxazole?
The InChIKey is VYXLQKABAKLGTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O2/c1-18-13-4-2-11(3-5-13)14-16-12(9-19-14)8-17-7-6-15-10-17/h2-7,9-10H,8H2,1H3.
What are the key properties of 4-(imidazol-1-ylmethyl)-2-(4-methoxyphenyl)-1,3-oxazole?
4-(imidazol-1-ylmethyl)-2-(4-methoxyphenyl)-1,3-oxazole has a molecular weight of 255.28 g/mol, XLogP of 2.60, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(imidazol-1-ylmethyl)-2-(4-methoxyphenyl)-1,3-oxazole is sourced from PubChem (CID 47281616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).