benzyl 4-[5-(2H-tetrazol-5-yl)-1,2-oxazol-3-yl]piperazine-1-carboxylate

C16H17N7O3 — CID 58539789

IUPACbenzyl 4-[5-(2H-tetrazol-5-yl)-1,2-oxazol-3-yl]piperazine-1-carboxylate
SMILESO=C(OCc1ccccc1)N1CCN(c2cc(-c3nn[nH]n3)on2)CC1
InChIInChI=1S/C16H17N7O3/c24-16(25-11-12-4-2-1-3-5-12)23-8-6-22(7-9-23)14-10-13(26-19-14)15-17-20-21-18-15/h1-5,10H,6-9,11H2,(H,17,18,20,21)
InChIKeyWQDYVRDOMSAKAE-UHFFFAOYSA-N
MW355.36 g/mol
LogP1.31
Rot. Bonds4

About benzyl 4-[5-(2H-tetrazol-5-yl)-1,2-oxazol-3-yl]piperazine-1-carboxylate

benzyl 4-[5-(2H-tetrazol-5-yl)-1,2-oxazol-3-yl]piperazine-1-carboxylate (PubChem CID 58539789) has the molecular formula C16H17N7O3 and a molecular weight of 355.36 g/mol. Its IUPAC name is benzyl 4-[5-(2H-tetrazol-5-yl)-1,2-oxazol-3-yl]piperazine-1-carboxylate.

Molecular Properties

Compound Namebenzyl 4-[5-(2H-tetrazol-5-yl)-1,2-oxazol-3-yl]piperazine-1-carboxylate
PubChem CID58539789
Molecular FormulaC16H17N7O3
Molecular Weight355.36 g/mol
Exact Mass355.14
IUPAC Namebenzyl 4-[5-(2H-tetrazol-5-yl)-1,2-oxazol-3-yl]piperazine-1-carboxylate
SMILESO=C(OCc1ccccc1)N1CCN(c2cc(-c3nn[nH]n3)on2)CC1
InChIInChI=1S/C16H17N7O3/c24-16(25-11-12-4-2-1-3-5-12)23-8-6-22(7-9-23)14-10-13(26-19-14)15-17-20-21-18-15/h1-5,10H,6-9,11H2,(H,17,18,20,21)
InChIKeyWQDYVRDOMSAKAE-UHFFFAOYSA-N
XLogP1.31
TPSA113.27 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.36
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

benzyl 4-(5-methyl-1,2-oxazol-3-yl)piperazine-1-carboxylate
CID 110645892
tribenzyl 1,4,7-triazonane-1,4,7-tricarboxylate
CID 54056276
benzyl aziridine-1-carboxylate;silane
CID 158496499
benzyl 4-(2-hydroxyphenyl)piperazine-1-carboxylate
CID 19034142
benzyl 4-(4-hydroxyphenyl)piperazine-1-carboxylate
CID 54123735
benzyl 4-(5-phenyl-1,3,4-oxadiazol-2-yl)piperazine-1-carboxylate
CID 110642275
benzyl 4-(2-aminophenyl)piperazine-1-carboxylate
CID 118318710
benzyl piperidine-1-carboxylate
CID 158057698
benzyl 4-pyrido[2,3-b]pyrazin-6-ylpiperazine-1-carboxylate
CID 133397587
benzyl 4-[1-(2-morpholin-4-ylethyl)-6-oxopyridazin-3-yl]piperazine-1-carboxylate
CID 70929123
pyridin-4-ylmethyl 4-phenylpiperazine-1-carboxylate
CID 44511304
benzyl 1,4,7,10-tetrazacyclododecane-1-carboxylate
CID 11154253

Frequently Asked Questions

What is the IUPAC name of benzyl 4-[5-(2H-tetrazol-5-yl)-1,2-oxazol-3-yl]piperazine-1-carboxylate?
The IUPAC name of benzyl 4-[5-(2H-tetrazol-5-yl)-1,2-oxazol-3-yl]piperazine-1-carboxylate (CID 58539789) is benzyl 4-[5-(2H-tetrazol-5-yl)-1,2-oxazol-3-yl]piperazine-1-carboxylate.
What is the SMILES notation for benzyl 4-[5-(2H-tetrazol-5-yl)-1,2-oxazol-3-yl]piperazine-1-carboxylate?
The canonical SMILES for benzyl 4-[5-(2H-tetrazol-5-yl)-1,2-oxazol-3-yl]piperazine-1-carboxylate is O=C(OCc1ccccc1)N1CCN(c2cc(-c3nn[nH]n3)on2)CC1.
What is the InChIKey of benzyl 4-[5-(2H-tetrazol-5-yl)-1,2-oxazol-3-yl]piperazine-1-carboxylate?
The InChIKey is WQDYVRDOMSAKAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N7O3/c24-16(25-11-12-4-2-1-3-5-12)23-8-6-22(7-9-23)14-10-13(26-19-14)15-17-20-21-18-15/h1-5,10H,6-9,11H2,(H,17,18,20,21).
What are the key properties of benzyl 4-[5-(2H-tetrazol-5-yl)-1,2-oxazol-3-yl]piperazine-1-carboxylate?
benzyl 4-[5-(2H-tetrazol-5-yl)-1,2-oxazol-3-yl]piperazine-1-carboxylate has a molecular weight of 355.36 g/mol, XLogP of 1.31, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 4-[5-(2H-tetrazol-5-yl)-1,2-oxazol-3-yl]piperazine-1-carboxylate is sourced from PubChem (CID 58539789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).