2-tert-butyl-5-[[(2R)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methyl]-1,3,4-oxadiazole

C15H23N5O — CID 95570899

IUPAC2-tert-butyl-5-[[(2R)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methyl]-1,3,4-oxadiazole
SMILESCn1cc([C@H]2CCCN2Cc2nnc(C(C)(C)C)o2)cn1
InChIInChI=1S/C15H23N5O/c1-15(2,3)14-18-17-13(21-14)10-20-7-5-6-12(20)11-8-16-19(4)9-11/h8-9,12H,5-7,10H2,1-4H3/t12-/m1/s1
InChIKeyUWANXHAZHDGTNO-GFCCVEGCSA-N
MW289.38 g/mol
LogP2.44
Rot. Bonds3

About 2-tert-butyl-5-[[(2R)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methyl]-1,3,4-oxadiazole

2-tert-butyl-5-[[(2R)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methyl]-1,3,4-oxadiazole (PubChem CID 95570899) has the molecular formula C15H23N5O and a molecular weight of 289.38 g/mol. Its IUPAC name is 2-tert-butyl-5-[[(2R)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-tert-butyl-5-[[(2R)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methyl]-1,3,4-oxadiazole
PubChem CID95570899
Molecular FormulaC15H23N5O
Molecular Weight289.38 g/mol
Exact Mass289.19
IUPAC Name2-tert-butyl-5-[[(2R)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methyl]-1,3,4-oxadiazole
SMILESCn1cc([C@H]2CCCN2Cc2nnc(C(C)(C)C)o2)cn1
InChIInChI=1S/C15H23N5O/c1-15(2,3)14-18-17-13(21-14)10-20-7-5-6-12(20)11-8-16-19(4)9-11/h8-9,12H,5-7,10H2,1-4H3/t12-/m1/s1
InChIKeyUWANXHAZHDGTNO-GFCCVEGCSA-N
XLogP2.44
TPSA59.98 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-tert-butyl-5-[[(2R)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methyl]-1,3,4-oxadiazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[5-[[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methyl]-1,2,4-oxadiazol-3-yl]propan-2-amine;dihydrochloride
CID 119932595
5-(4-fluorophenyl)-2-[[(2S)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methyl]-1,3-oxazole
CID 95569830
2-[(2R)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]ethanamine
CID 51619077
5-chloro-4-[[(2S)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methyl]thiadiazole
CID 95569838
3-(furan-2-yl)-5-[[(2S)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methyl]-1,2,4-oxadiazole
CID 95569796
1-methyl-4-[(2S)-1-(2-methylprop-2-enyl)pyrrolidin-2-yl]pyrazole
CID 95350128
1-methyl-4-[(2R)-1-(2-methylprop-2-enyl)pyrrolidin-2-yl]pyrazole
CID 95350127
5-cyclopropyl-3-[[(2R)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methyl]-1,2,4-oxadiazole
CID 95569691
5-[[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methyl]-3-pyridin-3-yl-1,2,4-oxadiazole
CID 56825307
5-[[(2R)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methyl]-3-pyridin-3-yl-1,2,4-oxadiazole
CID 95570862
3-[[(2R)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methyl]benzonitrile
CID 95311248
4-[1-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)pyrrolidin-2-yl]-1-methylpyrazole
CID 154747688

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-5-[[(2R)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methyl]-1,3,4-oxadiazole?
The IUPAC name of 2-tert-butyl-5-[[(2R)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methyl]-1,3,4-oxadiazole (CID 95570899) is 2-tert-butyl-5-[[(2R)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methyl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-tert-butyl-5-[[(2R)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methyl]-1,3,4-oxadiazole?
The canonical SMILES for 2-tert-butyl-5-[[(2R)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methyl]-1,3,4-oxadiazole is Cn1cc([C@H]2CCCN2Cc2nnc(C(C)(C)C)o2)cn1.
What is the InChIKey of 2-tert-butyl-5-[[(2R)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methyl]-1,3,4-oxadiazole?
The InChIKey is UWANXHAZHDGTNO-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H23N5O/c1-15(2,3)14-18-17-13(21-14)10-20-7-5-6-12(20)11-8-16-19(4)9-11/h8-9,12H,5-7,10H2,1-4H3/t12-/m1/s1.
What are the key properties of 2-tert-butyl-5-[[(2R)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methyl]-1,3,4-oxadiazole?
2-tert-butyl-5-[[(2R)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methyl]-1,3,4-oxadiazole has a molecular weight of 289.38 g/mol, XLogP of 2.44, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-5-[[(2R)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methyl]-1,3,4-oxadiazole is sourced from PubChem (CID 95570899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).