N-[[5-[(2S)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]methyl]-2-[4-(tetrazol-1-yl)phenoxy]acetamide

C16H17N7O4 — CID 124757992

IUPACN-[[5-[(2S)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]methyl]-2-[4-(tetrazol-1-yl)phenoxy]acetamide
SMILESO=C(COc1ccc(-n2cnnn2)cc1)NCc1noc([C@@H]2CCCO2)n1
InChIInChI=1S/C16H17N7O4/c24-15(17-8-14-19-16(27-20-14)13-2-1-7-25-13)9-26-12-5-3-11(4-6-12)23-10-18-21-22-23/h3-6,10,13H,1-2,7-9H2,(H,17,24)/t13-/m0/s1
InChIKeyXKHLTNRUZWSUSH-ZDUSSCGKSA-N
MW371.36 g/mol
LogP0.59
Rot. Bonds7

About N-[[5-[(2S)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]methyl]-2-[4-(tetrazol-1-yl)phenoxy]acetamide

N-[[5-[(2S)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]methyl]-2-[4-(tetrazol-1-yl)phenoxy]acetamide (PubChem CID 124757992) has the molecular formula C16H17N7O4 and a molecular weight of 371.36 g/mol. Its IUPAC name is N-[[5-[(2S)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]methyl]-2-[4-(tetrazol-1-yl)phenoxy]acetamide.

Molecular Properties

Compound NameN-[[5-[(2S)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]methyl]-2-[4-(tetrazol-1-yl)phenoxy]acetamide
PubChem CID124757992
Molecular FormulaC16H17N7O4
Molecular Weight371.36 g/mol
Exact Mass371.13
IUPAC NameN-[[5-[(2S)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]methyl]-2-[4-(tetrazol-1-yl)phenoxy]acetamide
SMILESO=C(COc1ccc(-n2cnnn2)cc1)NCc1noc([C@@H]2CCCO2)n1
InChIInChI=1S/C16H17N7O4/c24-15(17-8-14-19-16(27-20-14)13-2-1-7-25-13)9-26-12-5-3-11(4-6-12)23-10-18-21-22-23/h3-6,10,13H,1-2,7-9H2,(H,17,24)/t13-/m0/s1
InChIKeyXKHLTNRUZWSUSH-ZDUSSCGKSA-N
XLogP0.59
TPSA130.08 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.36
LogP ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

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Related Compounds

N-[[5-[(2R)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]methyl]-4-(tetrazol-1-ylmethyl)benzamide
CID 125168186
N-[[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]-4-(tetrazol-1-ylmethyl)benzamide
CID 118779570
N-cyclohexyl-2-[4-(tetrazol-1-yl)phenoxy]acetamide
CID 2090380
N-prop-2-ynyl-2-[4-(tetrazol-1-yl)phenoxy]acetamide
CID 40769610
N-[[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]-2-(1,2,4-triazol-4-yl)benzamide
CID 121494507
N-[[(1R)-3,4-dihydro-1H-isochromen-1-yl]methyl]-2-[4-(tetrazol-1-yl)phenoxy]acetamide
CID 99981768
N-[[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]-2-(4-phenylpiperidin-1-yl)acetamide
CID 72904628
3-(1H-indol-3-yl)-N-[[5-[(2S)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]methyl]propanamide
CID 125164412
3-(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)-N-[[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]propanamide
CID 157018596
3-hydroxy-N-[[5-[(2R)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]methyl]pyridine-2-carboxamide
CID 125437836
N-[(1-propylimidazol-2-yl)methyl]-2-[4-(tetrazol-1-yl)phenoxy]acetamide
CID 122567228
2-(benzotriazol-2-yl)-N-[2-[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]ethyl]acetamide
CID 77092880

Frequently Asked Questions

What is the IUPAC name of N-[[5-[(2S)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]methyl]-2-[4-(tetrazol-1-yl)phenoxy]acetamide?
The IUPAC name of N-[[5-[(2S)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]methyl]-2-[4-(tetrazol-1-yl)phenoxy]acetamide (CID 124757992) is N-[[5-[(2S)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]methyl]-2-[4-(tetrazol-1-yl)phenoxy]acetamide.
What is the SMILES notation for N-[[5-[(2S)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]methyl]-2-[4-(tetrazol-1-yl)phenoxy]acetamide?
The canonical SMILES for N-[[5-[(2S)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]methyl]-2-[4-(tetrazol-1-yl)phenoxy]acetamide is O=C(COc1ccc(-n2cnnn2)cc1)NCc1noc([C@@H]2CCCO2)n1.
What is the InChIKey of N-[[5-[(2S)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]methyl]-2-[4-(tetrazol-1-yl)phenoxy]acetamide?
The InChIKey is XKHLTNRUZWSUSH-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H17N7O4/c24-15(17-8-14-19-16(27-20-14)13-2-1-7-25-13)9-26-12-5-3-11(4-6-12)23-10-18-21-22-23/h3-6,10,13H,1-2,7-9H2,(H,17,24)/t13-/m0/s1.
What are the key properties of N-[[5-[(2S)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]methyl]-2-[4-(tetrazol-1-yl)phenoxy]acetamide?
N-[[5-[(2S)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]methyl]-2-[4-(tetrazol-1-yl)phenoxy]acetamide has a molecular weight of 371.36 g/mol, XLogP of 0.59, 7 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[(2S)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]methyl]-2-[4-(tetrazol-1-yl)phenoxy]acetamide is sourced from PubChem (CID 124757992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).