2-[(7S)-5,7-diphenyl-7H-tetrazolo[1,5-a]pyrimidin-4-yl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide

C23H24N6O2 — CID 95060194

IUPAC2-[(7S)-5,7-diphenyl-7H-tetrazolo[1,5-a]pyrimidin-4-yl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide
SMILESO=C(CN1C(c2ccccc2)=C[C@@H](c2ccccc2)n2nnnc21)NC[C@@H]1CCCO1
InChIInChI=1S/C23H24N6O2/c30-22(24-15-19-12-7-13-31-19)16-28-20(17-8-3-1-4-9-17)14-21(18-10-5-2-6-11-18)29-23(28)25-26-27-29/h1-6,8-11,14,19,21H,7,12-13,15-16H2,(H,24,30)/t19-,21-/m0/s1
InChIKeyIZJDIOQFMSBMAH-FPOVZHCZSA-N
MW416.49 g/mol
LogP2.42
Rot. Bonds6

About 2-[(7S)-5,7-diphenyl-7H-tetrazolo[1,5-a]pyrimidin-4-yl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide

2-[(7S)-5,7-diphenyl-7H-tetrazolo[1,5-a]pyrimidin-4-yl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide (PubChem CID 95060194) has the molecular formula C23H24N6O2 and a molecular weight of 416.49 g/mol. Its IUPAC name is 2-[(7S)-5,7-diphenyl-7H-tetrazolo[1,5-a]pyrimidin-4-yl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide.

Molecular Properties

Compound Name2-[(7S)-5,7-diphenyl-7H-tetrazolo[1,5-a]pyrimidin-4-yl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide
PubChem CID95060194
Molecular FormulaC23H24N6O2
Molecular Weight416.49 g/mol
Exact Mass416.20
IUPAC Name2-[(7S)-5,7-diphenyl-7H-tetrazolo[1,5-a]pyrimidin-4-yl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide
SMILESO=C(CN1C(c2ccccc2)=C[C@@H](c2ccccc2)n2nnnc21)NC[C@@H]1CCCO1
InChIInChI=1S/C23H24N6O2/c30-22(24-15-19-12-7-13-31-19)16-28-20(17-8-3-1-4-9-17)14-21(18-10-5-2-6-11-18)29-23(28)25-26-27-29/h1-6,8-11,14,19,21H,7,12-13,15-16H2,(H,24,30)/t19-,21-/m0/s1
InChIKeyIZJDIOQFMSBMAH-FPOVZHCZSA-N
XLogP2.42
TPSA85.17 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.49
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-(5,7-diphenyl-7H-tetrazolo[1,5-a]pyrimidin-4-yl)-N-(oxolan-2-ylmethyl)acetamide
CID 53046408
N-[[(2S)-oxolan-2-yl]methyl]-2-(5-oxo-4-phenyltetrazol-1-yl)acetamide
CID 9379923
N'-benzyl-N-(oxolan-2-ylmethyl)oxamide
CID 21211581
N-[[(2R)-oxolan-2-yl]methyl]-2-(4-phenylquinazolin-2-yl)sulfanylacetamide
CID 7223501
2-[(7R)-5,7-bis(4-methylphenyl)-7H-tetrazolo[1,5-a]pyrimidin-4-yl]-N-(2-methoxyphenyl)acetamide
CID 95060486
2-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanyl]-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 8019525
2-[(2S,5R)-5-methyl-2-phenylmorpholin-4-yl]-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 124776476
2-[5,7-bis(4-methylphenyl)-7H-tetrazolo[1,5-a]pyrimidin-4-yl]-1-morpholin-4-ylethanone
CID 53046537
N-(oxolan-2-ylmethyl)-2-(5-oxo-2-phenyl-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)acetamide
CID 46282340
2-(2-methyl-5-phenylmorpholin-4-yl)-N-(oxolan-2-ylmethyl)acetamide
CID 146129636
N-(oxolan-2-ylmethyl)-2-[(5-phenyl-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl)sulfanyl]acetamide
CID 2939254
2-[5-(4-methylphenyl)tetrazol-2-yl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 7713076

Frequently Asked Questions

What is the IUPAC name of 2-[(7S)-5,7-diphenyl-7H-tetrazolo[1,5-a]pyrimidin-4-yl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide?
The IUPAC name of 2-[(7S)-5,7-diphenyl-7H-tetrazolo[1,5-a]pyrimidin-4-yl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide (CID 95060194) is 2-[(7S)-5,7-diphenyl-7H-tetrazolo[1,5-a]pyrimidin-4-yl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide.
What is the SMILES notation for 2-[(7S)-5,7-diphenyl-7H-tetrazolo[1,5-a]pyrimidin-4-yl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide?
The canonical SMILES for 2-[(7S)-5,7-diphenyl-7H-tetrazolo[1,5-a]pyrimidin-4-yl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide is O=C(CN1C(c2ccccc2)=C[C@@H](c2ccccc2)n2nnnc21)NC[C@@H]1CCCO1.
What is the InChIKey of 2-[(7S)-5,7-diphenyl-7H-tetrazolo[1,5-a]pyrimidin-4-yl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide?
The InChIKey is IZJDIOQFMSBMAH-FPOVZHCZSA-N. The full InChI is InChI=1S/C23H24N6O2/c30-22(24-15-19-12-7-13-31-19)16-28-20(17-8-3-1-4-9-17)14-21(18-10-5-2-6-11-18)29-23(28)25-26-27-29/h1-6,8-11,14,19,21H,7,12-13,15-16H2,(H,24,30)/t19-,21-/m0/s1.
What are the key properties of 2-[(7S)-5,7-diphenyl-7H-tetrazolo[1,5-a]pyrimidin-4-yl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide?
2-[(7S)-5,7-diphenyl-7H-tetrazolo[1,5-a]pyrimidin-4-yl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide has a molecular weight of 416.49 g/mol, XLogP of 2.42, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(7S)-5,7-diphenyl-7H-tetrazolo[1,5-a]pyrimidin-4-yl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide is sourced from PubChem (CID 95060194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).