2-tert-butyl-5-[1-(1H-imidazol-2-ylmethyl)pyrrolidin-3-yl]-1,3,4-oxadiazole

C14H21N5O — CID 75615701

IUPAC2-tert-butyl-5-[1-(1H-imidazol-2-ylmethyl)pyrrolidin-3-yl]-1,3,4-oxadiazole
SMILESCC(C)(C)c1nnc(C2CCN(Cc3ncc[nH]3)C2)o1
InChIInChI=1S/C14H21N5O/c1-14(2,3)13-18-17-12(20-13)10-4-7-19(8-10)9-11-15-5-6-16-11/h5-6,10H,4,7-9H2,1-3H3,(H,15,16)
InChIKeyVJTRMFOSVSCLBX-UHFFFAOYSA-N
MW275.36 g/mol
LogP2.08
Rot. Bonds3

About 2-tert-butyl-5-[1-(1H-imidazol-2-ylmethyl)pyrrolidin-3-yl]-1,3,4-oxadiazole

2-tert-butyl-5-[1-(1H-imidazol-2-ylmethyl)pyrrolidin-3-yl]-1,3,4-oxadiazole (PubChem CID 75615701) has the molecular formula C14H21N5O and a molecular weight of 275.36 g/mol. Its IUPAC name is 2-tert-butyl-5-[1-(1H-imidazol-2-ylmethyl)pyrrolidin-3-yl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-tert-butyl-5-[1-(1H-imidazol-2-ylmethyl)pyrrolidin-3-yl]-1,3,4-oxadiazole
PubChem CID75615701
Molecular FormulaC14H21N5O
Molecular Weight275.36 g/mol
Exact Mass275.17
IUPAC Name2-tert-butyl-5-[1-(1H-imidazol-2-ylmethyl)pyrrolidin-3-yl]-1,3,4-oxadiazole
SMILESCC(C)(C)c1nnc(C2CCN(Cc3ncc[nH]3)C2)o1
InChIInChI=1S/C14H21N5O/c1-14(2,3)13-18-17-12(20-13)10-4-7-19(8-10)9-11-15-5-6-16-11/h5-6,10H,4,7-9H2,1-3H3,(H,15,16)
InChIKeyVJTRMFOSVSCLBX-UHFFFAOYSA-N
XLogP2.08
TPSA70.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.36
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-5-[1-(1H-imidazol-2-ylmethyl)pyrrolidin-3-yl]-1,3,4-oxadiazole?
The IUPAC name of 2-tert-butyl-5-[1-(1H-imidazol-2-ylmethyl)pyrrolidin-3-yl]-1,3,4-oxadiazole (CID 75615701) is 2-tert-butyl-5-[1-(1H-imidazol-2-ylmethyl)pyrrolidin-3-yl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-tert-butyl-5-[1-(1H-imidazol-2-ylmethyl)pyrrolidin-3-yl]-1,3,4-oxadiazole?
The canonical SMILES for 2-tert-butyl-5-[1-(1H-imidazol-2-ylmethyl)pyrrolidin-3-yl]-1,3,4-oxadiazole is CC(C)(C)c1nnc(C2CCN(Cc3ncc[nH]3)C2)o1.
What is the InChIKey of 2-tert-butyl-5-[1-(1H-imidazol-2-ylmethyl)pyrrolidin-3-yl]-1,3,4-oxadiazole?
The InChIKey is VJTRMFOSVSCLBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5O/c1-14(2,3)13-18-17-12(20-13)10-4-7-19(8-10)9-11-15-5-6-16-11/h5-6,10H,4,7-9H2,1-3H3,(H,15,16).
What are the key properties of 2-tert-butyl-5-[1-(1H-imidazol-2-ylmethyl)pyrrolidin-3-yl]-1,3,4-oxadiazole?
2-tert-butyl-5-[1-(1H-imidazol-2-ylmethyl)pyrrolidin-3-yl]-1,3,4-oxadiazole has a molecular weight of 275.36 g/mol, XLogP of 2.08, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-5-[1-(1H-imidazol-2-ylmethyl)pyrrolidin-3-yl]-1,3,4-oxadiazole is sourced from PubChem (CID 75615701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).