1-[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl]-4-phenyltetrazol-5-one

C18H15N5O3 — CID 18288236

IUPAC1-[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl]-4-phenyltetrazol-5-one
SMILESCOc1ccc(-c2nc(Cn3nnn(-c4ccccc4)c3=O)co2)cc1
InChIInChI=1S/C18H15N5O3/c1-25-16-9-7-13(8-10-16)17-19-14(12-26-17)11-22-18(24)23(21-20-22)15-5-3-2-4-6-15/h2-10,12H,11H2,1H3
InChIKeyYNZDYLBAXRIOAE-UHFFFAOYSA-N
MW349.35 g/mol
LogP2.14
Rot. Bonds5

About 1-[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl]-4-phenyltetrazol-5-one

1-[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl]-4-phenyltetrazol-5-one (PubChem CID 18288236) has the molecular formula C18H15N5O3 and a molecular weight of 349.35 g/mol. Its IUPAC name is 1-[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl]-4-phenyltetrazol-5-one.

Molecular Properties

Compound Name1-[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl]-4-phenyltetrazol-5-one
PubChem CID18288236
Molecular FormulaC18H15N5O3
Molecular Weight349.35 g/mol
Exact Mass349.12
IUPAC Name1-[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl]-4-phenyltetrazol-5-one
SMILESCOc1ccc(-c2nc(Cn3nnn(-c4ccccc4)c3=O)co2)cc1
InChIInChI=1S/C18H15N5O3/c1-25-16-9-7-13(8-10-16)17-19-14(12-26-17)11-22-18(24)23(21-20-22)15-5-3-2-4-6-15/h2-10,12H,11H2,1H3
InChIKeyYNZDYLBAXRIOAE-UHFFFAOYSA-N
XLogP2.14
TPSA87.97 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.35
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

1-[(4-methoxyphenyl)methyl]-4-phenyltetrazol-5-one
CID 16579069
1-[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl]-3-methylbenzimidazol-2-one
CID 18290993
4-[(5-cyclohexyltetrazol-1-yl)methyl]-2-(4-methoxyphenyl)-1,3-oxazole
CID 75434158
1-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]-4-thiophen-2-yltetrazol-5-one
CID 31781728
2-(4-methoxyphenyl)-4-[(4-phenylimidazol-1-yl)methyl]-1,3-oxazole
CID 56658949
3-[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl]quinazolin-4-one
CID 18282371
2-(4-methoxyphenyl)-4-(triazol-1-ylmethyl)-1,3-oxazole
CID 69424980
4-(benzylsulfanylmethyl)-2-(4-methoxyphenyl)-1,3-oxazole
CID 55542268
4-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]-2-(4-methoxyphenyl)-1,3-oxazole
CID 18273032
2-(4-methoxyphenyl)-4-[(2-methylsulfonylbenzimidazol-1-yl)methyl]-1,3-oxazole
CID 30835415
4-(imidazol-1-ylmethyl)-2-(4-methoxyphenyl)-1,3-oxazole
CID 47281616
1-[(6-methoxy-3-pyridinyl)methyl]-4-phenyltetrazol-5-one
CID 122144248

Frequently Asked Questions

What is the IUPAC name of 1-[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl]-4-phenyltetrazol-5-one?
The IUPAC name of 1-[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl]-4-phenyltetrazol-5-one (CID 18288236) is 1-[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl]-4-phenyltetrazol-5-one.
What is the SMILES notation for 1-[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl]-4-phenyltetrazol-5-one?
The canonical SMILES for 1-[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl]-4-phenyltetrazol-5-one is COc1ccc(-c2nc(Cn3nnn(-c4ccccc4)c3=O)co2)cc1.
What is the InChIKey of 1-[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl]-4-phenyltetrazol-5-one?
The InChIKey is YNZDYLBAXRIOAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N5O3/c1-25-16-9-7-13(8-10-16)17-19-14(12-26-17)11-22-18(24)23(21-20-22)15-5-3-2-4-6-15/h2-10,12H,11H2,1H3.
What are the key properties of 1-[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl]-4-phenyltetrazol-5-one?
1-[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl]-4-phenyltetrazol-5-one has a molecular weight of 349.35 g/mol, XLogP of 2.14, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl]-4-phenyltetrazol-5-one is sourced from PubChem (CID 18288236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).