1-[4-(phenoxymethyl)phenyl]-3-[5-[6-(2H-tetrazol-5-yl)-2-pyridinyl]-1,3-oxazol-2-yl]propan-2-one

C25H20N6O3 — CID 91245475

IUPAC1-[4-(phenoxymethyl)phenyl]-3-[5-[6-(2H-tetrazol-5-yl)-2-pyridinyl]-1,3-oxazol-2-yl]propan-2-one
SMILESO=C(Cc1ccc(COc2ccccc2)cc1)Cc1ncc(-c2cccc(-c3nn[nH]n3)n2)o1
InChIInChI=1S/C25H20N6O3/c32-19(13-17-9-11-18(12-10-17)16-33-20-5-2-1-3-6-20)14-24-26-15-23(34-24)21-7-4-8-22(27-21)25-28-30-31-29-25/h1-12,15H,13-14,16H2,(H,28,29,30,31)
InChIKeyPQUYMWXXPKZKEW-UHFFFAOYSA-N
MW452.47 g/mol
LogP3.85
Rot. Bonds9

About 1-[4-(phenoxymethyl)phenyl]-3-[5-[6-(2H-tetrazol-5-yl)-2-pyridinyl]-1,3-oxazol-2-yl]propan-2-one

1-[4-(phenoxymethyl)phenyl]-3-[5-[6-(2H-tetrazol-5-yl)-2-pyridinyl]-1,3-oxazol-2-yl]propan-2-one (PubChem CID 91245475) has the molecular formula C25H20N6O3 and a molecular weight of 452.47 g/mol. Its IUPAC name is 1-[4-(phenoxymethyl)phenyl]-3-[5-[6-(2H-tetrazol-5-yl)-2-pyridinyl]-1,3-oxazol-2-yl]propan-2-one.

Molecular Properties

Compound Name1-[4-(phenoxymethyl)phenyl]-3-[5-[6-(2H-tetrazol-5-yl)-2-pyridinyl]-1,3-oxazol-2-yl]propan-2-one
PubChem CID91245475
Molecular FormulaC25H20N6O3
Molecular Weight452.47 g/mol
Exact Mass452.16
IUPAC Name1-[4-(phenoxymethyl)phenyl]-3-[5-[6-(2H-tetrazol-5-yl)-2-pyridinyl]-1,3-oxazol-2-yl]propan-2-one
SMILESO=C(Cc1ccc(COc2ccccc2)cc1)Cc1ncc(-c2cccc(-c3nn[nH]n3)n2)o1
InChIInChI=1S/C25H20N6O3/c32-19(13-17-9-11-18(12-10-17)16-33-20-5-2-1-3-6-20)14-24-26-15-23(34-24)21-7-4-8-22(27-21)25-28-30-31-29-25/h1-12,15H,13-14,16H2,(H,28,29,30,31)
InChIKeyPQUYMWXXPKZKEW-UHFFFAOYSA-N
XLogP3.85
TPSA119.68 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.47
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

1-Oxo-1-[5-(2-pyridyl)oxazol-2-yl]-3-(4-(benzyloxy)phenyl)propane
CID 16735159
3-(4-(Phenoxymethyl)phenyl)-1-(5-(pyridin-2-yl)oxazol-2-yl)propan-1-one
CID 16736226
1-Oxo-1-[5-(2-pyridyl)oxazol-2-yl]-3-(3-(benzyloxy)phenyl)-propane
CID 16735160
2-Cyano-6-(2-(3-(4-(phenoxymethyl)phenyl)propanoyl)oxazol-5-yl)pyridine
CID 24800521
4,5-diphenyl-2-[5-[3-(2H-tetrazol-5-ylmethoxy)phenyl]-1,3-oxazol-4-yl]-1,3-oxazole
CID 14971825
3-(4-phenylphenyl)-1-[5-[6-(2H-tetrazol-5-yl)-2-pyridinyl]-1,3-oxazol-2-yl]propan-1-one
CID 24799306
1-(5-(6-(1H-tetrazol-5-yl)pyridin-2-yl)oxazol-2-yl)-3-(4-(phenoxymethyl)phenyl)propan-1-one
CID 24800683
Methyl 6-(2-(3-(4-(phenoxymethyl)phenyl)propanoyl)oxazol-5-yl)pyridine-2-carboxylate
CID 24801043
1-(5-(6-(1H-tetrazol-5-yl)pyridin-2-yl)oxazol-2-yl)-7-phenylheptan-1-one
CID 24800681
5-[4-[1-[4-[4-(2-Methoxyphenyl)piperazin-1-yl]butyl]triazol-4-yl]phenyl]-1,3-oxazole
CID 72191068
6-[2-[3-(4-Phenylphenyl)propyl]-1,3-oxazol-5-yl]pyridine-2-carboxamide
CID 24801227
4-[2-(Furan-2-yl)-6-[4-(1,3-oxazol-5-yl)phenyl]-4-pyridinyl]benzamide
CID 145985420

Frequently Asked Questions

What is the IUPAC name of 1-[4-(phenoxymethyl)phenyl]-3-[5-[6-(2H-tetrazol-5-yl)-2-pyridinyl]-1,3-oxazol-2-yl]propan-2-one?
The IUPAC name of 1-[4-(phenoxymethyl)phenyl]-3-[5-[6-(2H-tetrazol-5-yl)-2-pyridinyl]-1,3-oxazol-2-yl]propan-2-one (CID 91245475) is 1-[4-(phenoxymethyl)phenyl]-3-[5-[6-(2H-tetrazol-5-yl)-2-pyridinyl]-1,3-oxazol-2-yl]propan-2-one.
What is the SMILES notation for 1-[4-(phenoxymethyl)phenyl]-3-[5-[6-(2H-tetrazol-5-yl)-2-pyridinyl]-1,3-oxazol-2-yl]propan-2-one?
The canonical SMILES for 1-[4-(phenoxymethyl)phenyl]-3-[5-[6-(2H-tetrazol-5-yl)-2-pyridinyl]-1,3-oxazol-2-yl]propan-2-one is O=C(Cc1ccc(COc2ccccc2)cc1)Cc1ncc(-c2cccc(-c3nn[nH]n3)n2)o1.
What is the InChIKey of 1-[4-(phenoxymethyl)phenyl]-3-[5-[6-(2H-tetrazol-5-yl)-2-pyridinyl]-1,3-oxazol-2-yl]propan-2-one?
The InChIKey is PQUYMWXXPKZKEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20N6O3/c32-19(13-17-9-11-18(12-10-17)16-33-20-5-2-1-3-6-20)14-24-26-15-23(34-24)21-7-4-8-22(27-21)25-28-30-31-29-25/h1-12,15H,13-14,16H2,(H,28,29,30,31).
What are the key properties of 1-[4-(phenoxymethyl)phenyl]-3-[5-[6-(2H-tetrazol-5-yl)-2-pyridinyl]-1,3-oxazol-2-yl]propan-2-one?
1-[4-(phenoxymethyl)phenyl]-3-[5-[6-(2H-tetrazol-5-yl)-2-pyridinyl]-1,3-oxazol-2-yl]propan-2-one has a molecular weight of 452.47 g/mol, XLogP of 3.85, 9 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(phenoxymethyl)phenyl]-3-[5-[6-(2H-tetrazol-5-yl)-2-pyridinyl]-1,3-oxazol-2-yl]propan-2-one is sourced from PubChem (CID 91245475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).