4-(benzotriazol-1-yloxymethyl)-2-phenyl-1,3-oxazole

C16H12N4O2 — CID 32513417

IUPAC4-(benzotriazol-1-yloxymethyl)-2-phenyl-1,3-oxazole
SMILESc1ccc(-c2nc(COn3nnc4ccccc43)co2)cc1
InChIInChI=1S/C16H12N4O2/c1-2-6-12(7-3-1)16-17-13(10-21-16)11-22-20-15-9-5-4-8-14(15)18-19-20/h1-10H,11H2
InChIKeyVMGWMUSOMMQEMO-UHFFFAOYSA-N
MW292.30 g/mol
LogP2.72
Rot. Bonds4

About 4-(benzotriazol-1-yloxymethyl)-2-phenyl-1,3-oxazole

4-(benzotriazol-1-yloxymethyl)-2-phenyl-1,3-oxazole (PubChem CID 32513417) has the molecular formula C16H12N4O2 and a molecular weight of 292.30 g/mol. Its IUPAC name is 4-(benzotriazol-1-yloxymethyl)-2-phenyl-1,3-oxazole.

Molecular Properties

Compound Name4-(benzotriazol-1-yloxymethyl)-2-phenyl-1,3-oxazole
PubChem CID32513417
Molecular FormulaC16H12N4O2
Molecular Weight292.30 g/mol
Exact Mass292.10
IUPAC Name4-(benzotriazol-1-yloxymethyl)-2-phenyl-1,3-oxazole
SMILESc1ccc(-c2nc(COn3nnc4ccccc43)co2)cc1
InChIInChI=1S/C16H12N4O2/c1-2-6-12(7-3-1)16-17-13(10-21-16)11-22-20-15-9-5-4-8-14(15)18-19-20/h1-10H,11H2
InChIKeyVMGWMUSOMMQEMO-UHFFFAOYSA-N
XLogP2.72
TPSA65.97 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.30
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-(iodomethyl)-2-phenyl-1,3-oxazole
CID 15726804
4-(bromomethyl)-2-phenyl-1,3-oxazole
CID 53421463
2-phenyl-4-[[4-(tetrazol-1-yl)phenoxy]methyl]-1,3-oxazole
CID 18165684
1-[(4-bromophenyl)methoxy]benzotriazole
CID 2966833
4-[(2-iodophenoxy)methyl]-2-phenyl-1,3-oxazole
CID 38879165
2-phenyl-4-[(4-propoxyphenoxy)methyl]-1,3-oxazole
CID 112787746
4-[(3,4-dimethylphenoxy)methyl]-2-phenyl-1,3-oxazole
CID 112787327
1-(oxiran-2-ylmethoxy)benzotriazole
CID 10797780
2-(benzotriazol-1-yloxymethyl)-5-thiophen-2-yl-1,3,4-oxadiazole
CID 7668650
(2S)-2-(benzimidazol-1-yl)-N-[(2-phenyl-1,3-oxazol-4-yl)methyl]propanamide
CID 129397081
(2-phenyl-1,3-oxazol-4-yl)methyl 2-(1,3-benzothiazol-2-ylsulfanyl)acetate
CID 55320792
[3-[(2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]methanamine
CID 106485084

Frequently Asked Questions

What is the IUPAC name of 4-(benzotriazol-1-yloxymethyl)-2-phenyl-1,3-oxazole?
The IUPAC name of 4-(benzotriazol-1-yloxymethyl)-2-phenyl-1,3-oxazole (CID 32513417) is 4-(benzotriazol-1-yloxymethyl)-2-phenyl-1,3-oxazole.
What is the SMILES notation for 4-(benzotriazol-1-yloxymethyl)-2-phenyl-1,3-oxazole?
The canonical SMILES for 4-(benzotriazol-1-yloxymethyl)-2-phenyl-1,3-oxazole is c1ccc(-c2nc(COn3nnc4ccccc43)co2)cc1.
What is the InChIKey of 4-(benzotriazol-1-yloxymethyl)-2-phenyl-1,3-oxazole?
The InChIKey is VMGWMUSOMMQEMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N4O2/c1-2-6-12(7-3-1)16-17-13(10-21-16)11-22-20-15-9-5-4-8-14(15)18-19-20/h1-10H,11H2.
What are the key properties of 4-(benzotriazol-1-yloxymethyl)-2-phenyl-1,3-oxazole?
4-(benzotriazol-1-yloxymethyl)-2-phenyl-1,3-oxazole has a molecular weight of 292.30 g/mol, XLogP of 2.72, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(benzotriazol-1-yloxymethyl)-2-phenyl-1,3-oxazole is sourced from PubChem (CID 32513417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).