[2-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]amino]-2-oxoethyl] 4-(tetrazol-1-yl)benzoate

C20H16N6O4 — CID 9455525

IUPAC[2-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]amino]-2-oxoethyl] 4-(tetrazol-1-yl)benzoate
SMILESCc1ccc(-c2cc(NC(=O)COC(=O)c3ccc(-n4cnnn4)cc3)on2)cc1
InChIInChI=1S/C20H16N6O4/c1-13-2-4-14(5-3-13)17-10-19(30-23-17)22-18(27)11-29-20(28)15-6-8-16(9-7-15)26-12-21-24-25-26/h2-10,12H,11H2,1H3,(H,22,27)
InChIKeyYXYIEQCECOKPCY-UHFFFAOYSA-N
MW404.39 g/mol
LogP2.42
Rot. Bonds6

About [2-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]amino]-2-oxoethyl] 4-(tetrazol-1-yl)benzoate

[2-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]amino]-2-oxoethyl] 4-(tetrazol-1-yl)benzoate (PubChem CID 9455525) has the molecular formula C20H16N6O4 and a molecular weight of 404.39 g/mol. Its IUPAC name is [2-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]amino]-2-oxoethyl] 4-(tetrazol-1-yl)benzoate.

Molecular Properties

Compound Name[2-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]amino]-2-oxoethyl] 4-(tetrazol-1-yl)benzoate
PubChem CID9455525
Molecular FormulaC20H16N6O4
Molecular Weight404.39 g/mol
Exact Mass404.12
IUPAC Name[2-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]amino]-2-oxoethyl] 4-(tetrazol-1-yl)benzoate
SMILESCc1ccc(-c2cc(NC(=O)COC(=O)c3ccc(-n4cnnn4)cc3)on2)cc1
InChIInChI=1S/C20H16N6O4/c1-13-2-4-14(5-3-13)17-10-19(30-23-17)22-18(27)11-29-20(28)15-6-8-16(9-7-15)26-12-21-24-25-26/h2-10,12H,11H2,1H3,(H,22,27)
InChIKeyYXYIEQCECOKPCY-UHFFFAOYSA-N
XLogP2.42
TPSA125.03 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.39
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze [2-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]amino]-2-oxoethyl] 4-(tetrazol-1-yl)benzoate with MolForge

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Related Compounds

[2-(2-bromo-4-methylanilino)-2-oxoethyl] 4-(tetrazol-1-yl)benzoate
CID 2535996
[2-(ethoxycarbonylamino)-2-oxoethyl] 4-(tetrazol-1-yl)benzoate
CID 2535658
[2-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]amino]-2-oxoethyl] 3-methoxybenzoate
CID 7594594
[2-[2-[(4-methylphenyl)methylcarbamoyl]anilino]-2-oxoethyl] 4-(tetrazol-1-yl)benzoate
CID 29387354
[2-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]amino]-2-oxoethyl] 2,3-dimethylbenzoate
CID 7517793
[2-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]amino]-2-oxoethyl] 5-chlorothiophene-2-carboxylate
CID 7519289
[2-[4-[ethyl(propan-2-yl)amino]anilino]-2-oxoethyl] 4-(tetrazol-1-yl)benzoate
CID 2535814
[2-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]amino]-2-oxoethyl] 1-hydroxynaphthalene-2-carboxylate
CID 7523077
ethyl 4-[[2-[4-(tetrazol-1-yl)phenoxy]acetyl]amino]benzoate
CID 1259832
[2-(2,3-dihydro-1H-inden-5-ylamino)-2-oxoethyl] 4-(tetrazol-1-yl)benzoate
CID 2668636
[2-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]amino]-2-oxoethyl] 1-cyclopropyl-2,5-dimethylpyrrole-3-carboxylate
CID 8672918
[2-[(1-methylpyrrole-2-carbonyl)amino]-2-oxoethyl] 4-(tetrazol-1-yl)benzoate
CID 2665575

Frequently Asked Questions

What is the IUPAC name of [2-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]amino]-2-oxoethyl] 4-(tetrazol-1-yl)benzoate?
The IUPAC name of [2-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]amino]-2-oxoethyl] 4-(tetrazol-1-yl)benzoate (CID 9455525) is [2-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]amino]-2-oxoethyl] 4-(tetrazol-1-yl)benzoate.
What is the SMILES notation for [2-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]amino]-2-oxoethyl] 4-(tetrazol-1-yl)benzoate?
The canonical SMILES for [2-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]amino]-2-oxoethyl] 4-(tetrazol-1-yl)benzoate is Cc1ccc(-c2cc(NC(=O)COC(=O)c3ccc(-n4cnnn4)cc3)on2)cc1.
What is the InChIKey of [2-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]amino]-2-oxoethyl] 4-(tetrazol-1-yl)benzoate?
The InChIKey is YXYIEQCECOKPCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N6O4/c1-13-2-4-14(5-3-13)17-10-19(30-23-17)22-18(27)11-29-20(28)15-6-8-16(9-7-15)26-12-21-24-25-26/h2-10,12H,11H2,1H3,(H,22,27).
What are the key properties of [2-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]amino]-2-oxoethyl] 4-(tetrazol-1-yl)benzoate?
[2-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]amino]-2-oxoethyl] 4-(tetrazol-1-yl)benzoate has a molecular weight of 404.39 g/mol, XLogP of 2.42, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]amino]-2-oxoethyl] 4-(tetrazol-1-yl)benzoate is sourced from PubChem (CID 9455525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).