2-(4-methyl-1,2,5-oxadiazol-3-yl)-N-[2-(5-oxo-4-phenyltetrazol-1-yl)ethyl]acetamide

C14H15N7O3 — CID 46959750

IUPAC2-(4-methyl-1,2,5-oxadiazol-3-yl)-N-[2-(5-oxo-4-phenyltetrazol-1-yl)ethyl]acetamide
SMILESCc1nonc1CC(=O)NCCn1nnn(-c2ccccc2)c1=O
InChIInChI=1S/C14H15N7O3/c1-10-12(17-24-16-10)9-13(22)15-7-8-20-14(23)21(19-18-20)11-5-3-2-4-6-11/h2-6H,7-9H2,1H3,(H,15,22)
InChIKeyUCKHAVLCLBRTKT-UHFFFAOYSA-N
MW329.32 g/mol
LogP-0.52
Rot. Bonds6

About 2-(4-methyl-1,2,5-oxadiazol-3-yl)-N-[2-(5-oxo-4-phenyltetrazol-1-yl)ethyl]acetamide

2-(4-methyl-1,2,5-oxadiazol-3-yl)-N-[2-(5-oxo-4-phenyltetrazol-1-yl)ethyl]acetamide (PubChem CID 46959750) has the molecular formula C14H15N7O3 and a molecular weight of 329.32 g/mol. Its IUPAC name is 2-(4-methyl-1,2,5-oxadiazol-3-yl)-N-[2-(5-oxo-4-phenyltetrazol-1-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-(4-methyl-1,2,5-oxadiazol-3-yl)-N-[2-(5-oxo-4-phenyltetrazol-1-yl)ethyl]acetamide
PubChem CID46959750
Molecular FormulaC14H15N7O3
Molecular Weight329.32 g/mol
Exact Mass329.12
IUPAC Name2-(4-methyl-1,2,5-oxadiazol-3-yl)-N-[2-(5-oxo-4-phenyltetrazol-1-yl)ethyl]acetamide
SMILESCc1nonc1CC(=O)NCCn1nnn(-c2ccccc2)c1=O
InChIInChI=1S/C14H15N7O3/c1-10-12(17-24-16-10)9-13(22)15-7-8-20-14(23)21(19-18-20)11-5-3-2-4-6-11/h2-6H,7-9H2,1H3,(H,15,22)
InChIKeyUCKHAVLCLBRTKT-UHFFFAOYSA-N
XLogP-0.52
TPSA120.73 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.32
LogP ≤ 5-0.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

2-(2-fluorophenyl)-N-[2-(5-oxo-4-phenyltetrazol-1-yl)ethyl]acetamide
CID 46959742
(2S)-2-(benzotriazol-2-yl)-N-[2-(5-oxo-4-phenyltetrazol-1-yl)ethyl]propanamide
CID 51494712
2-(4-methyl-1,2,5-oxadiazol-3-yl)-N-[2-(5-phenyl-1,2,4-oxadiazol-3-yl)ethyl]acetamide
CID 77092821
1-[3-(5-oxo-4-phenyltetrazol-1-yl)propyl]-4-phenyltetrazol-5-one
CID 40598560
N-(3-aminobutyl)-2-(5-methyl-1-phenyltriazol-4-yl)acetamide
CID 119497704
N-[3-(2-fluorophenyl)propyl]-2-(4-methyl-1,2,5-oxadiazol-3-yl)acetamide
CID 131892196
1-octyl-4-phenyltetrazol-5-one
CID 15508327
N-[2-(5-oxo-4-thiophen-2-yltetrazol-1-yl)ethyl]-2-thiophen-2-ylacetamide
CID 95801873
methyl 4-[[2-(5-oxo-4-phenyltetrazol-1-yl)acetyl]amino]butanoate
CID 24519768
N-[3-(methylamino)propyl]-2-(5-methyl-1-phenyltriazol-4-yl)acetamide;hydrochloride
CID 119432306
N-(3-aminopropyl)-2-(5-methyl-1-phenyltriazol-4-yl)acetamide;hydrochloride
CID 119407316
2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-[2-(2-oxoazepan-1-yl)ethyl]acetamide
CID 39513536

Frequently Asked Questions

What is the IUPAC name of 2-(4-methyl-1,2,5-oxadiazol-3-yl)-N-[2-(5-oxo-4-phenyltetrazol-1-yl)ethyl]acetamide?
The IUPAC name of 2-(4-methyl-1,2,5-oxadiazol-3-yl)-N-[2-(5-oxo-4-phenyltetrazol-1-yl)ethyl]acetamide (CID 46959750) is 2-(4-methyl-1,2,5-oxadiazol-3-yl)-N-[2-(5-oxo-4-phenyltetrazol-1-yl)ethyl]acetamide.
What is the SMILES notation for 2-(4-methyl-1,2,5-oxadiazol-3-yl)-N-[2-(5-oxo-4-phenyltetrazol-1-yl)ethyl]acetamide?
The canonical SMILES for 2-(4-methyl-1,2,5-oxadiazol-3-yl)-N-[2-(5-oxo-4-phenyltetrazol-1-yl)ethyl]acetamide is Cc1nonc1CC(=O)NCCn1nnn(-c2ccccc2)c1=O.
What is the InChIKey of 2-(4-methyl-1,2,5-oxadiazol-3-yl)-N-[2-(5-oxo-4-phenyltetrazol-1-yl)ethyl]acetamide?
The InChIKey is UCKHAVLCLBRTKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N7O3/c1-10-12(17-24-16-10)9-13(22)15-7-8-20-14(23)21(19-18-20)11-5-3-2-4-6-11/h2-6H,7-9H2,1H3,(H,15,22).
What are the key properties of 2-(4-methyl-1,2,5-oxadiazol-3-yl)-N-[2-(5-oxo-4-phenyltetrazol-1-yl)ethyl]acetamide?
2-(4-methyl-1,2,5-oxadiazol-3-yl)-N-[2-(5-oxo-4-phenyltetrazol-1-yl)ethyl]acetamide has a molecular weight of 329.32 g/mol, XLogP of -0.52, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methyl-1,2,5-oxadiazol-3-yl)-N-[2-(5-oxo-4-phenyltetrazol-1-yl)ethyl]acetamide is sourced from PubChem (CID 46959750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).