(3-methyl-1,2,4-oxadiazol-5-yl)methyl 2-[5-(4-methylphenyl)tetrazol-2-yl]acetate

C14H14N6O3 — CID 24649043

IUPAC(3-methyl-1,2,4-oxadiazol-5-yl)methyl 2-[5-(4-methylphenyl)tetrazol-2-yl]acetate
SMILESCc1ccc(-c2nnn(CC(=O)OCc3nc(C)no3)n2)cc1
InChIInChI=1S/C14H14N6O3/c1-9-3-5-11(6-4-9)14-16-19-20(17-14)7-13(21)22-8-12-15-10(2)18-23-12/h3-6H,7-8H2,1-2H3
InChIKeyATKUWAMCRXTJNO-UHFFFAOYSA-N
MW314.31 g/mol
LogP1.08
Rot. Bonds5

About (3-methyl-1,2,4-oxadiazol-5-yl)methyl 2-[5-(4-methylphenyl)tetrazol-2-yl]acetate

(3-methyl-1,2,4-oxadiazol-5-yl)methyl 2-[5-(4-methylphenyl)tetrazol-2-yl]acetate (PubChem CID 24649043) has the molecular formula C14H14N6O3 and a molecular weight of 314.31 g/mol. Its IUPAC name is (3-methyl-1,2,4-oxadiazol-5-yl)methyl 2-[5-(4-methylphenyl)tetrazol-2-yl]acetate.

Molecular Properties

Compound Name(3-methyl-1,2,4-oxadiazol-5-yl)methyl 2-[5-(4-methylphenyl)tetrazol-2-yl]acetate
PubChem CID24649043
Molecular FormulaC14H14N6O3
Molecular Weight314.31 g/mol
Exact Mass314.11
IUPAC Name(3-methyl-1,2,4-oxadiazol-5-yl)methyl 2-[5-(4-methylphenyl)tetrazol-2-yl]acetate
SMILESCc1ccc(-c2nnn(CC(=O)OCc3nc(C)no3)n2)cc1
InChIInChI=1S/C14H14N6O3/c1-9-3-5-11(6-4-9)14-16-19-20(17-14)7-13(21)22-8-12-15-10(2)18-23-12/h3-6H,7-8H2,1-2H3
InChIKeyATKUWAMCRXTJNO-UHFFFAOYSA-N
XLogP1.08
TPSA108.82 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.31
LogP ≤ 51.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Related Compounds

[3-[4-(difluoromethoxy)-3-methoxyphenyl]-1,2,4-oxadiazol-5-yl]methyl 2-[5-(4-methylphenyl)tetrazol-2-yl]acetate
CID 55426773
(2-cyanophenyl)methyl 2-[5-(4-methylphenyl)tetrazol-2-yl]acetate
CID 8825682
2-[5-(4-methylphenyl)tetrazol-2-yl]acetic acid
CID 701825
[2-(4-chlorophenyl)-2-oxoethyl] 2-[5-(4-methylphenyl)tetrazol-2-yl]acetate
CID 8825511
(3-methyl-1,2,4-oxadiazol-5-yl)methyl 2-[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]acetate
CID 34549545
[2-oxo-2-(pentan-3-ylamino)ethyl] 2-[5-(4-methylphenyl)tetrazol-2-yl]acetate
CID 8825589
ethyl N-[2-[5-(4-methylphenyl)tetrazol-2-yl]acetyl]carbamate
CID 7713038
[(2S)-1-(4-methoxyphenyl)-1-oxopropan-2-yl] 2-[5-(4-methylphenyl)tetrazol-2-yl]acetate
CID 8825649
[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl] 2-[5-(4-methylphenyl)tetrazol-2-yl]acetate
CID 8825635
[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] 2-[5-(4-methylphenyl)tetrazol-2-yl]acetate
CID 8825634
(3-methyl-1,2,4-oxadiazol-5-yl)methyl 2-[methyl-(4-methylphenyl)sulfonylamino]acetate
CID 31047019
[2-(furan-2-carbonylamino)-2-oxoethyl] 2-[5-(4-methylphenyl)tetrazol-2-yl]acetate
CID 55460162

Frequently Asked Questions

What is the IUPAC name of (3-methyl-1,2,4-oxadiazol-5-yl)methyl 2-[5-(4-methylphenyl)tetrazol-2-yl]acetate?
The IUPAC name of (3-methyl-1,2,4-oxadiazol-5-yl)methyl 2-[5-(4-methylphenyl)tetrazol-2-yl]acetate (CID 24649043) is (3-methyl-1,2,4-oxadiazol-5-yl)methyl 2-[5-(4-methylphenyl)tetrazol-2-yl]acetate.
What is the SMILES notation for (3-methyl-1,2,4-oxadiazol-5-yl)methyl 2-[5-(4-methylphenyl)tetrazol-2-yl]acetate?
The canonical SMILES for (3-methyl-1,2,4-oxadiazol-5-yl)methyl 2-[5-(4-methylphenyl)tetrazol-2-yl]acetate is Cc1ccc(-c2nnn(CC(=O)OCc3nc(C)no3)n2)cc1.
What is the InChIKey of (3-methyl-1,2,4-oxadiazol-5-yl)methyl 2-[5-(4-methylphenyl)tetrazol-2-yl]acetate?
The InChIKey is ATKUWAMCRXTJNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N6O3/c1-9-3-5-11(6-4-9)14-16-19-20(17-14)7-13(21)22-8-12-15-10(2)18-23-12/h3-6H,7-8H2,1-2H3.
What are the key properties of (3-methyl-1,2,4-oxadiazol-5-yl)methyl 2-[5-(4-methylphenyl)tetrazol-2-yl]acetate?
(3-methyl-1,2,4-oxadiazol-5-yl)methyl 2-[5-(4-methylphenyl)tetrazol-2-yl]acetate has a molecular weight of 314.31 g/mol, XLogP of 1.08, 5 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methyl-1,2,4-oxadiazol-5-yl)methyl 2-[5-(4-methylphenyl)tetrazol-2-yl]acetate is sourced from PubChem (CID 24649043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).