3-[(2S)-1-[(1-butyltetrazol-5-yl)methyl]pyrrolidin-2-yl]-5-ethyl-1,2,4-oxadiazole

C14H23N7O — CID 95766244

IUPAC3-[(2S)-1-[(1-butyltetrazol-5-yl)methyl]pyrrolidin-2-yl]-5-ethyl-1,2,4-oxadiazole
SMILESCCCCn1nnnc1CN1CCC[C@H]1c1noc(CC)n1
InChIInChI=1S/C14H23N7O/c1-3-5-9-21-12(16-18-19-21)10-20-8-6-7-11(20)14-15-13(4-2)22-17-14/h11H,3-10H2,1-2H3/t11-/m0/s1
InChIKeyAMGOIXUTPCAPMI-NSHDSACASA-N
MW305.39 g/mol
LogP1.76
Rot. Bonds7

About 3-[(2S)-1-[(1-butyltetrazol-5-yl)methyl]pyrrolidin-2-yl]-5-ethyl-1,2,4-oxadiazole

3-[(2S)-1-[(1-butyltetrazol-5-yl)methyl]pyrrolidin-2-yl]-5-ethyl-1,2,4-oxadiazole (PubChem CID 95766244) has the molecular formula C14H23N7O and a molecular weight of 305.39 g/mol. Its IUPAC name is 3-[(2S)-1-[(1-butyltetrazol-5-yl)methyl]pyrrolidin-2-yl]-5-ethyl-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-[(2S)-1-[(1-butyltetrazol-5-yl)methyl]pyrrolidin-2-yl]-5-ethyl-1,2,4-oxadiazole
PubChem CID95766244
Molecular FormulaC14H23N7O
Molecular Weight305.39 g/mol
Exact Mass305.20
IUPAC Name3-[(2S)-1-[(1-butyltetrazol-5-yl)methyl]pyrrolidin-2-yl]-5-ethyl-1,2,4-oxadiazole
SMILESCCCCn1nnnc1CN1CCC[C@H]1c1noc(CC)n1
InChIInChI=1S/C14H23N7O/c1-3-5-9-21-12(16-18-19-21)10-20-8-6-7-11(20)14-15-13(4-2)22-17-14/h11H,3-10H2,1-2H3/t11-/m0/s1
InChIKeyAMGOIXUTPCAPMI-NSHDSACASA-N
XLogP1.76
TPSA85.76 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.39
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 3-[(2S)-1-[(1-butyltetrazol-5-yl)methyl]pyrrolidin-2-yl]-5-ethyl-1,2,4-oxadiazole?
The IUPAC name of 3-[(2S)-1-[(1-butyltetrazol-5-yl)methyl]pyrrolidin-2-yl]-5-ethyl-1,2,4-oxadiazole (CID 95766244) is 3-[(2S)-1-[(1-butyltetrazol-5-yl)methyl]pyrrolidin-2-yl]-5-ethyl-1,2,4-oxadiazole.
What is the SMILES notation for 3-[(2S)-1-[(1-butyltetrazol-5-yl)methyl]pyrrolidin-2-yl]-5-ethyl-1,2,4-oxadiazole?
The canonical SMILES for 3-[(2S)-1-[(1-butyltetrazol-5-yl)methyl]pyrrolidin-2-yl]-5-ethyl-1,2,4-oxadiazole is CCCCn1nnnc1CN1CCC[C@H]1c1noc(CC)n1.
What is the InChIKey of 3-[(2S)-1-[(1-butyltetrazol-5-yl)methyl]pyrrolidin-2-yl]-5-ethyl-1,2,4-oxadiazole?
The InChIKey is AMGOIXUTPCAPMI-NSHDSACASA-N. The full InChI is InChI=1S/C14H23N7O/c1-3-5-9-21-12(16-18-19-21)10-20-8-6-7-11(20)14-15-13(4-2)22-17-14/h11H,3-10H2,1-2H3/t11-/m0/s1.
What are the key properties of 3-[(2S)-1-[(1-butyltetrazol-5-yl)methyl]pyrrolidin-2-yl]-5-ethyl-1,2,4-oxadiazole?
3-[(2S)-1-[(1-butyltetrazol-5-yl)methyl]pyrrolidin-2-yl]-5-ethyl-1,2,4-oxadiazole has a molecular weight of 305.39 g/mol, XLogP of 1.76, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2S)-1-[(1-butyltetrazol-5-yl)methyl]pyrrolidin-2-yl]-5-ethyl-1,2,4-oxadiazole is sourced from PubChem (CID 95766244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).