N-(oxolan-2-ylmethyl)-2-[5-[2-(tetrazol-1-yl)phenyl]tetrazol-2-yl]acetamide

C15H17N9O2 — CID 3195221

IUPACN-(oxolan-2-ylmethyl)-2-[5-[2-(tetrazol-1-yl)phenyl]tetrazol-2-yl]acetamide
SMILESO=C(Cn1nnc(-c2ccccc2-n2cnnn2)n1)NCC1CCCO1
InChIInChI=1S/C15H17N9O2/c25-14(16-8-11-4-3-7-26-11)9-24-19-15(18-21-24)12-5-1-2-6-13(12)23-10-17-20-22-23/h1-2,5-6,10-11H,3-4,7-9H2,(H,16,25)
InChIKeyCMZSUHYZRDLNCP-UHFFFAOYSA-N
MW355.36 g/mol
LogP-0.39
Rot. Bonds6

About N-(oxolan-2-ylmethyl)-2-[5-[2-(tetrazol-1-yl)phenyl]tetrazol-2-yl]acetamide

N-(oxolan-2-ylmethyl)-2-[5-[2-(tetrazol-1-yl)phenyl]tetrazol-2-yl]acetamide (PubChem CID 3195221) has the molecular formula C15H17N9O2 and a molecular weight of 355.36 g/mol. Its IUPAC name is N-(oxolan-2-ylmethyl)-2-[5-[2-(tetrazol-1-yl)phenyl]tetrazol-2-yl]acetamide.

Molecular Properties

Compound NameN-(oxolan-2-ylmethyl)-2-[5-[2-(tetrazol-1-yl)phenyl]tetrazol-2-yl]acetamide
PubChem CID3195221
Molecular FormulaC15H17N9O2
Molecular Weight355.36 g/mol
Exact Mass355.15
IUPAC NameN-(oxolan-2-ylmethyl)-2-[5-[2-(tetrazol-1-yl)phenyl]tetrazol-2-yl]acetamide
SMILESO=C(Cn1nnc(-c2ccccc2-n2cnnn2)n1)NCC1CCCO1
InChIInChI=1S/C15H17N9O2/c25-14(16-8-11-4-3-7-26-11)9-24-19-15(18-21-24)12-5-1-2-6-13(12)23-10-17-20-22-23/h1-2,5-6,10-11H,3-4,7-9H2,(H,16,25)
InChIKeyCMZSUHYZRDLNCP-UHFFFAOYSA-N
XLogP-0.39
TPSA125.53 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.36
LogP ≤ 5-0.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

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Related Compounds

2-[5-(4-methylphenyl)tetrazol-2-yl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 7713076
N-(4-ethylphenyl)-2-[5-[2-(tetrazol-1-yl)phenyl]tetrazol-2-yl]acetamide
CID 3382696
N-[[(2R)-oxolan-2-yl]methyl]-2-[5-(4-pyrrolidin-1-ylsulfonylphenyl)tetrazol-2-yl]acetamide
CID 1429463
N-[[(2S)-oxolan-2-yl]methyl]-2-[5-(4-pyrrolidin-1-ylsulfonylphenyl)tetrazol-2-yl]acetamide
CID 1429464
N-[[(2S)-oxolan-2-yl]methyl]-2-(5-oxo-4-phenyltetrazol-1-yl)acetamide
CID 9379923
2-indol-1-yl-N-(oxolan-2-ylmethyl)acetamide
CID 5125884
2-[5-[4-chloro-2-(tetrazol-1-yl)phenyl]tetrazol-2-yl]-N-(2-methylphenyl)acetamide
CID 1455314
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-oxo-2-[[(2R)-oxolan-2-yl]methylamino]ethyl]-2-(5-thiophen-2-yltetrazol-2-yl)acetamide
CID 1143827
N-(1-benzylpiperidin-4-yl)-2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]-N-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]acetamide
CID 3180824
2-(2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl)-N-(oxolan-2-ylmethyl)acetamide
CID 46276063
2-[(2S)-2-ethyl-3-oxo-1,4-benzoxazin-4-yl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 7236802
2-[(2R)-2-ethyl-3-oxo-1,4-benzoxazin-4-yl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 6542601

Frequently Asked Questions

What is the IUPAC name of N-(oxolan-2-ylmethyl)-2-[5-[2-(tetrazol-1-yl)phenyl]tetrazol-2-yl]acetamide?
The IUPAC name of N-(oxolan-2-ylmethyl)-2-[5-[2-(tetrazol-1-yl)phenyl]tetrazol-2-yl]acetamide (CID 3195221) is N-(oxolan-2-ylmethyl)-2-[5-[2-(tetrazol-1-yl)phenyl]tetrazol-2-yl]acetamide.
What is the SMILES notation for N-(oxolan-2-ylmethyl)-2-[5-[2-(tetrazol-1-yl)phenyl]tetrazol-2-yl]acetamide?
The canonical SMILES for N-(oxolan-2-ylmethyl)-2-[5-[2-(tetrazol-1-yl)phenyl]tetrazol-2-yl]acetamide is O=C(Cn1nnc(-c2ccccc2-n2cnnn2)n1)NCC1CCCO1.
What is the InChIKey of N-(oxolan-2-ylmethyl)-2-[5-[2-(tetrazol-1-yl)phenyl]tetrazol-2-yl]acetamide?
The InChIKey is CMZSUHYZRDLNCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N9O2/c25-14(16-8-11-4-3-7-26-11)9-24-19-15(18-21-24)12-5-1-2-6-13(12)23-10-17-20-22-23/h1-2,5-6,10-11H,3-4,7-9H2,(H,16,25).
What are the key properties of N-(oxolan-2-ylmethyl)-2-[5-[2-(tetrazol-1-yl)phenyl]tetrazol-2-yl]acetamide?
N-(oxolan-2-ylmethyl)-2-[5-[2-(tetrazol-1-yl)phenyl]tetrazol-2-yl]acetamide has a molecular weight of 355.36 g/mol, XLogP of -0.39, 6 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxolan-2-ylmethyl)-2-[5-[2-(tetrazol-1-yl)phenyl]tetrazol-2-yl]acetamide is sourced from PubChem (CID 3195221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).