(1-phenyltetrazol-5-yl)methyl 2-[5-(4-methylphenyl)-1,3-oxazol-2-yl]benzoate

C25H19N5O3 — CID 24501424

IUPAC(1-phenyltetrazol-5-yl)methyl 2-[5-(4-methylphenyl)-1,3-oxazol-2-yl]benzoate
SMILESCc1ccc(-c2cnc(-c3ccccc3C(=O)OCc3nnnn3-c3ccccc3)o2)cc1
InChIInChI=1S/C25H19N5O3/c1-17-11-13-18(14-12-17)22-15-26-24(33-22)20-9-5-6-10-21(20)25(31)32-16-23-27-28-29-30(23)19-7-3-2-4-8-19/h2-15H,16H2,1H3
InChIKeyGRFUJIBFTIUJAX-UHFFFAOYSA-N
MW437.46 g/mol
LogP4.65
Rot. Bonds6

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

(1-phenyltetrazol-5-yl)methyl 2-[5-(4-methylphenyl)-1,3-oxazol-2-yl]benzoate (PubChem CID 24501424) has the molecular formula C25H19N5O3 and a molecular weight of 437.46 g/mol. Its IUPAC name is (1-phenyltetrazol-5-yl)methyl 2-[5-(4-methylphenyl)-1,3-oxazol-2-yl]benzoate.

Molecular Properties

Compound Name(1-phenyltetrazol-5-yl)methyl 2-[5-(4-methylphenyl)-1,3-oxazol-2-yl]benzoate
PubChem CID24501424
Molecular FormulaC25H19N5O3
Molecular Weight437.46 g/mol
Exact Mass437.15
IUPAC Name(1-phenyltetrazol-5-yl)methyl 2-[5-(4-methylphenyl)-1,3-oxazol-2-yl]benzoate
SMILESCc1ccc(-c2cnc(-c3ccccc3C(=O)OCc3nnnn3-c3ccccc3)o2)cc1
InChIInChI=1S/C25H19N5O3/c1-17-11-13-18(14-12-17)22-15-26-24(33-22)20-9-5-6-10-21(20)25(31)32-16-23-27-28-29-30(23)19-7-3-2-4-8-19/h2-15H,16H2,1H3
InChIKeyGRFUJIBFTIUJAX-UHFFFAOYSA-N
XLogP4.65
TPSA95.93 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.46
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of (1-phenyltetrazol-5-yl)methyl 2-[5-(4-methylphenyl)-1,3-oxazol-2-yl]benzoate?
The IUPAC name of (1-phenyltetrazol-5-yl)methyl 2-[5-(4-methylphenyl)-1,3-oxazol-2-yl]benzoate (CID 24501424) is (1-phenyltetrazol-5-yl)methyl 2-[5-(4-methylphenyl)-1,3-oxazol-2-yl]benzoate.
What is the SMILES notation for (1-phenyltetrazol-5-yl)methyl 2-[5-(4-methylphenyl)-1,3-oxazol-2-yl]benzoate?
The canonical SMILES for (1-phenyltetrazol-5-yl)methyl 2-[5-(4-methylphenyl)-1,3-oxazol-2-yl]benzoate is Cc1ccc(-c2cnc(-c3ccccc3C(=O)OCc3nnnn3-c3ccccc3)o2)cc1.
What is the InChIKey of (1-phenyltetrazol-5-yl)methyl 2-[5-(4-methylphenyl)-1,3-oxazol-2-yl]benzoate?
The InChIKey is GRFUJIBFTIUJAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19N5O3/c1-17-11-13-18(14-12-17)22-15-26-24(33-22)20-9-5-6-10-21(20)25(31)32-16-23-27-28-29-30(23)19-7-3-2-4-8-19/h2-15H,16H2,1H3.
What are the key properties of (1-phenyltetrazol-5-yl)methyl 2-[5-(4-methylphenyl)-1,3-oxazol-2-yl]benzoate?
(1-phenyltetrazol-5-yl)methyl 2-[5-(4-methylphenyl)-1,3-oxazol-2-yl]benzoate has a molecular weight of 437.46 g/mol, XLogP of 4.65, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (1-phenyltetrazol-5-yl)methyl 2-[5-(4-methylphenyl)-1,3-oxazol-2-yl]benzoate is sourced from PubChem (CID 24501424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).