tert-butyl 3-[[3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]methyl]azetidine-1-carboxylate

C15H21N5O3 — CID 102655486

IUPACtert-butyl 3-[[3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]methyl]azetidine-1-carboxylate
SMILESCn1cc(-c2noc(CC3CN(C(=O)OC(C)(C)C)C3)n2)cn1
InChIInChI=1S/C15H21N5O3/c1-15(2,3)22-14(21)20-7-10(8-20)5-12-17-13(18-23-12)11-6-16-19(4)9-11/h6,9-10H,5,7-8H2,1-4H3
InChIKeyPEZHLASEYFLPLD-UHFFFAOYSA-N
MW319.37 g/mol
LogP1.88
Rot. Bonds3

About tert-butyl 3-[[3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]methyl]azetidine-1-carboxylate

tert-butyl 3-[[3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]methyl]azetidine-1-carboxylate (PubChem CID 102655486) has the molecular formula C15H21N5O3 and a molecular weight of 319.37 g/mol. Its IUPAC name is tert-butyl 3-[[3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]methyl]azetidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-[[3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]methyl]azetidine-1-carboxylate
PubChem CID102655486
Molecular FormulaC15H21N5O3
Molecular Weight319.37 g/mol
Exact Mass319.16
IUPAC Nametert-butyl 3-[[3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]methyl]azetidine-1-carboxylate
SMILESCn1cc(-c2noc(CC3CN(C(=O)OC(C)(C)C)C3)n2)cn1
InChIInChI=1S/C15H21N5O3/c1-15(2,3)22-14(21)20-7-10(8-20)5-12-17-13(18-23-12)11-6-16-19(4)9-11/h6,9-10H,5,7-8H2,1-4H3
InChIKeyPEZHLASEYFLPLD-UHFFFAOYSA-N
XLogP1.88
TPSA86.28 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.37
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze tert-butyl 3-[[3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]methyl]azetidine-1-carboxylate with MolForge

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Related Compounds

tert-butyl 3-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]azetidine-1-carboxylate
CID 102655349
tert-butyl 3-[[3-(2H-triazol-4-yl)-1,2,4-oxadiazol-5-yl]methyl]azetidine-1-carboxylate
CID 102655561
tert-butyl 2-[[3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]methylcarbamoyl]pyrrolidine-1-carboxylate
CID 119104931
tert-butyl 3-[[3-(2-methoxypropyl)-1,2,4-oxadiazol-5-yl]methyl]azetidine-1-carboxylate
CID 102655607
tert-butyl 3-[[3-(cyclopropylcarbamoyl)-1,2,4-oxadiazol-5-yl]methyl]azetidine-1-carboxylate
CID 102791043
2,3-dimethyl-2-[[3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]methyl]butanoic acid
CID 65195176
5-(8-azabicyclo[3.2.1]octan-3-ylmethyl)-3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazole
CID 79609646
tert-butyl 3-[[3-(1-ethoxypropyl)-1,2,4-oxadiazol-5-yl]methyl]azetidine-1-carboxylate
CID 102655624
tert-butyl N-[(1S)-1-[3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]ethyl]carbamate
CID 97179370
tert-butyl 4-[[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-1-carboxylate
CID 75526735
tert-butyl 3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-1-carboxylate
CID 90641592
4-[3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]butan-1-ol
CID 79191349

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-[[3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]methyl]azetidine-1-carboxylate?
The IUPAC name of tert-butyl 3-[[3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]methyl]azetidine-1-carboxylate (CID 102655486) is tert-butyl 3-[[3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]methyl]azetidine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-[[3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]methyl]azetidine-1-carboxylate?
The canonical SMILES for tert-butyl 3-[[3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]methyl]azetidine-1-carboxylate is Cn1cc(-c2noc(CC3CN(C(=O)OC(C)(C)C)C3)n2)cn1.
What is the InChIKey of tert-butyl 3-[[3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]methyl]azetidine-1-carboxylate?
The InChIKey is PEZHLASEYFLPLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5O3/c1-15(2,3)22-14(21)20-7-10(8-20)5-12-17-13(18-23-12)11-6-16-19(4)9-11/h6,9-10H,5,7-8H2,1-4H3.
What are the key properties of tert-butyl 3-[[3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]methyl]azetidine-1-carboxylate?
tert-butyl 3-[[3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]methyl]azetidine-1-carboxylate has a molecular weight of 319.37 g/mol, XLogP of 1.88, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-[[3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]methyl]azetidine-1-carboxylate is sourced from PubChem (CID 102655486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).