N-[[(2S)-oxolan-2-yl]methyl]-2-(5-oxo-4-phenyltetrazol-1-yl)acetamide

C14H17N5O3 — CID 9379923

IUPACN-[[(2S)-oxolan-2-yl]methyl]-2-(5-oxo-4-phenyltetrazol-1-yl)acetamide
SMILESO=C(Cn1nnn(-c2ccccc2)c1=O)NC[C@@H]1CCCO1
InChIInChI=1S/C14H17N5O3/c20-13(15-9-12-7-4-8-22-12)10-18-14(21)19(17-16-18)11-5-2-1-3-6-11/h1-3,5-6,12H,4,7-10H2,(H,15,20)/t12-/m0/s1
InChIKeyGQXHLEIFOXAKDI-LBPRGKRZSA-N
MW303.32 g/mol
LogP-0.28
Rot. Bonds5

About N-[[(2S)-oxolan-2-yl]methyl]-2-(5-oxo-4-phenyltetrazol-1-yl)acetamide

N-[[(2S)-oxolan-2-yl]methyl]-2-(5-oxo-4-phenyltetrazol-1-yl)acetamide (PubChem CID 9379923) has the molecular formula C14H17N5O3 and a molecular weight of 303.32 g/mol. Its IUPAC name is N-[[(2S)-oxolan-2-yl]methyl]-2-(5-oxo-4-phenyltetrazol-1-yl)acetamide.

Molecular Properties

Compound NameN-[[(2S)-oxolan-2-yl]methyl]-2-(5-oxo-4-phenyltetrazol-1-yl)acetamide
PubChem CID9379923
Molecular FormulaC14H17N5O3
Molecular Weight303.32 g/mol
Exact Mass303.13
IUPAC NameN-[[(2S)-oxolan-2-yl]methyl]-2-(5-oxo-4-phenyltetrazol-1-yl)acetamide
SMILESO=C(Cn1nnn(-c2ccccc2)c1=O)NC[C@@H]1CCCO1
InChIInChI=1S/C14H17N5O3/c20-13(15-9-12-7-4-8-22-12)10-18-14(21)19(17-16-18)11-5-2-1-3-6-11/h1-3,5-6,12H,4,7-10H2,(H,15,20)/t12-/m0/s1
InChIKeyGQXHLEIFOXAKDI-LBPRGKRZSA-N
XLogP-0.28
TPSA91.04 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.32
LogP ≤ 5-0.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-2-(5-oxo-4-phenyltetrazol-1-yl)acetamide
CID 9379967
2-(4-oxochromeno[3,4-d]pyrazol-1-yl)-N-(oxolan-2-ylmethyl)acetamide
CID 5308120
6-oxo-N-[[(2S)-oxolan-2-yl]methyl]-1-phenylpyridazine-3-carboxamide
CID 31883567
2-[4-methyl-1-(2-methylphenyl)-7-oxopyrazolo[4,5-d]pyridazin-6-yl]-N-(oxolan-2-ylmethyl)acetamide
CID 16846564
2-[4-(3,5-dimethyl-1-phenylpyrazol-4-yl)piperazin-1-yl]-N-(oxolan-2-ylmethyl)acetamide
CID 90507559
N'-[[(2S)-oxolan-2-yl]methyl]-N-(2-phenylethyl)butanediamide
CID 7303399
2-[3-(4-bromophenyl)-7-oxotriazolo[4,5-d]pyrimidin-6-yl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 41105866
2-(2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl)-N-(oxolan-2-ylmethyl)acetamide
CID 46276063
(2R)-N-[[(2R)-oxolan-2-yl]methyl]-2-phenyl-2-(1-phenyltetrazol-5-yl)sulfanylacetamide
CID 41134175
2-(3-naphthalen-2-yl-6-oxopyridazin-1-yl)-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 7664292
N-[[(2S)-oxolan-2-yl]methyl]-1-phenyltetrazol-5-amine
CID 8001539
2-indol-1-yl-N-(oxolan-2-ylmethyl)acetamide
CID 5125884

Frequently Asked Questions

What is the IUPAC name of N-[[(2S)-oxolan-2-yl]methyl]-2-(5-oxo-4-phenyltetrazol-1-yl)acetamide?
The IUPAC name of N-[[(2S)-oxolan-2-yl]methyl]-2-(5-oxo-4-phenyltetrazol-1-yl)acetamide (CID 9379923) is N-[[(2S)-oxolan-2-yl]methyl]-2-(5-oxo-4-phenyltetrazol-1-yl)acetamide.
What is the SMILES notation for N-[[(2S)-oxolan-2-yl]methyl]-2-(5-oxo-4-phenyltetrazol-1-yl)acetamide?
The canonical SMILES for N-[[(2S)-oxolan-2-yl]methyl]-2-(5-oxo-4-phenyltetrazol-1-yl)acetamide is O=C(Cn1nnn(-c2ccccc2)c1=O)NC[C@@H]1CCCO1.
What is the InChIKey of N-[[(2S)-oxolan-2-yl]methyl]-2-(5-oxo-4-phenyltetrazol-1-yl)acetamide?
The InChIKey is GQXHLEIFOXAKDI-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H17N5O3/c20-13(15-9-12-7-4-8-22-12)10-18-14(21)19(17-16-18)11-5-2-1-3-6-11/h1-3,5-6,12H,4,7-10H2,(H,15,20)/t12-/m0/s1.
What are the key properties of N-[[(2S)-oxolan-2-yl]methyl]-2-(5-oxo-4-phenyltetrazol-1-yl)acetamide?
N-[[(2S)-oxolan-2-yl]methyl]-2-(5-oxo-4-phenyltetrazol-1-yl)acetamide has a molecular weight of 303.32 g/mol, XLogP of -0.28, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2S)-oxolan-2-yl]methyl]-2-(5-oxo-4-phenyltetrazol-1-yl)acetamide is sourced from PubChem (CID 9379923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).