phenyl 4-[2-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]piperazine-1-carboxylate

C16H20N4O3 — CID 110395770

IUPACphenyl 4-[2-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]piperazine-1-carboxylate
SMILESCc1nnc(CCN2CCN(C(=O)Oc3ccccc3)CC2)o1
InChIInChI=1S/C16H20N4O3/c1-13-17-18-15(22-13)7-8-19-9-11-20(12-10-19)16(21)23-14-5-3-2-4-6-14/h2-6H,7-12H2,1H3
InChIKeyGUKDRCOUCWRFHV-UHFFFAOYSA-N
MW316.36 g/mol
LogP1.74
Rot. Bonds4

About phenyl 4-[2-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]piperazine-1-carboxylate

phenyl 4-[2-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]piperazine-1-carboxylate (PubChem CID 110395770) has the molecular formula C16H20N4O3 and a molecular weight of 316.36 g/mol. Its IUPAC name is phenyl 4-[2-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]piperazine-1-carboxylate.

Molecular Properties

Compound Namephenyl 4-[2-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]piperazine-1-carboxylate
PubChem CID110395770
Molecular FormulaC16H20N4O3
Molecular Weight316.36 g/mol
Exact Mass316.15
IUPAC Namephenyl 4-[2-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]piperazine-1-carboxylate
SMILESCc1nnc(CCN2CCN(C(=O)Oc3ccccc3)CC2)o1
InChIInChI=1S/C16H20N4O3/c1-13-17-18-15(22-13)7-8-19-9-11-20(12-10-19)16(21)23-14-5-3-2-4-6-14/h2-6H,7-12H2,1H3
InChIKeyGUKDRCOUCWRFHV-UHFFFAOYSA-N
XLogP1.74
TPSA71.70 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

phenyl 4-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]piperazine-1-carboxylate
CID 110658516
1-[4-[2-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]piperazin-1-yl]-2,2-diphenylethanone
CID 110395727
3-(2-methoxyphenyl)-1-[4-[2-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]piperazin-1-yl]propan-1-one
CID 110395785
(3,5-dimethoxyphenyl)-[4-[2-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]piperazin-1-yl]methanone
CID 110395723
3-(4-methoxyphenyl)-1-[4-[2-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]piperazin-1-yl]propan-1-one
CID 110395779
[4-[2-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]piperazin-1-yl]-morpholin-4-ylmethanone
CID 110395775
(3,4-dimethoxyphenyl)-[4-[2-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]piperazin-1-yl]methanone
CID 110395729
cyclopentyl-[4-[2-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]piperazin-1-yl]methanone
CID 110395704
phenyl 4-(4-aminobutyl)piperazine-1-carboxylate
CID 43252406
1-[4-[3-(5-methyl-1,3,4-oxadiazol-2-yl)propanoyl]piperazin-1-yl]-3-phenylpropan-1-one
CID 110396163
phenyl 4-(2-aminoethyl)-1,4-diazepane-1-carboxylate
CID 43252389
1-[4-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]piperazin-1-yl]propan-1-one
CID 110658437

Frequently Asked Questions

What is the IUPAC name of phenyl 4-[2-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]piperazine-1-carboxylate?
The IUPAC name of phenyl 4-[2-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]piperazine-1-carboxylate (CID 110395770) is phenyl 4-[2-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]piperazine-1-carboxylate.
What is the SMILES notation for phenyl 4-[2-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]piperazine-1-carboxylate?
The canonical SMILES for phenyl 4-[2-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]piperazine-1-carboxylate is Cc1nnc(CCN2CCN(C(=O)Oc3ccccc3)CC2)o1.
What is the InChIKey of phenyl 4-[2-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]piperazine-1-carboxylate?
The InChIKey is GUKDRCOUCWRFHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O3/c1-13-17-18-15(22-13)7-8-19-9-11-20(12-10-19)16(21)23-14-5-3-2-4-6-14/h2-6H,7-12H2,1H3.
What are the key properties of phenyl 4-[2-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]piperazine-1-carboxylate?
phenyl 4-[2-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]piperazine-1-carboxylate has a molecular weight of 316.36 g/mol, XLogP of 1.74, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl 4-[2-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]piperazine-1-carboxylate is sourced from PubChem (CID 110395770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).