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

C16H20N4O3 — CID 102655349

IUPACtert-butyl 3-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]azetidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CC(Cc2nc(-c3ccncc3)no2)C1
InChIInChI=1S/C16H20N4O3/c1-16(2,3)22-15(21)20-9-11(10-20)8-13-18-14(19-23-13)12-4-6-17-7-5-12/h4-7,11H,8-10H2,1-3H3
InChIKeyNNGQGSNKLDVYKV-UHFFFAOYSA-N
MW316.36 g/mol
LogP2.54
Rot. Bonds3

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

tert-butyl 3-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]azetidine-1-carboxylate (PubChem CID 102655349) has the molecular formula C16H20N4O3 and a molecular weight of 316.36 g/mol. Its IUPAC name is tert-butyl 3-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]azetidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]azetidine-1-carboxylate
PubChem CID102655349
Molecular FormulaC16H20N4O3
Molecular Weight316.36 g/mol
Exact Mass316.15
IUPAC Nametert-butyl 3-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]azetidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CC(Cc2nc(-c3ccncc3)no2)C1
InChIInChI=1S/C16H20N4O3/c1-16(2,3)22-15(21)20-9-11(10-20)8-13-18-14(19-23-13)12-4-6-17-7-5-12/h4-7,11H,8-10H2,1-3H3
InChIKeyNNGQGSNKLDVYKV-UHFFFAOYSA-N
XLogP2.54
TPSA81.35 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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

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Related Compounds

tert-butyl 3-[[3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]methyl]azetidine-1-carboxylate
CID 102655486
tert-butyl 3-[[3-(2H-triazol-4-yl)-1,2,4-oxadiazol-5-yl]methyl]azetidine-1-carboxylate
CID 102655561
tert-butyl 3-[[3-(cyclopropylcarbamoyl)-1,2,4-oxadiazol-5-yl]methyl]azetidine-1-carboxylate
CID 102791043
tert-butyl N-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]carbamate
CID 56770463
tert-butyl 3-[[3-(2-methoxypropyl)-1,2,4-oxadiazol-5-yl]methyl]azetidine-1-carboxylate
CID 102655607
tert-butyl 3-[[3-(1-ethoxypropyl)-1,2,4-oxadiazol-5-yl]methyl]azetidine-1-carboxylate
CID 102655624
tert-butyl 4-[[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-1-carboxylate
CID 75526735
5-(cyclohexylmethyl)-3-pyridin-4-yl-1,2,4-oxadiazole
CID 667308
2,2-dimethyl-1-[4-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methoxy]piperidin-1-yl]propan-1-one
CID 11175343
tert-butyl 3-(pyridin-4-ylmethyl)pyrrolidine-1-carboxylate
CID 170629812
1-O-tert-butyl 3-O-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl] (3S)-piperidine-1,3-dicarboxylate
CID 33083338
tert-butyl 3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-1-carboxylate
CID 90641592

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]azetidine-1-carboxylate?
The IUPAC name of tert-butyl 3-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]azetidine-1-carboxylate (CID 102655349) is tert-butyl 3-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]azetidine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]azetidine-1-carboxylate?
The canonical SMILES for tert-butyl 3-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]azetidine-1-carboxylate is CC(C)(C)OC(=O)N1CC(Cc2nc(-c3ccncc3)no2)C1.
What is the InChIKey of tert-butyl 3-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]azetidine-1-carboxylate?
The InChIKey is NNGQGSNKLDVYKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O3/c1-16(2,3)22-15(21)20-9-11(10-20)8-13-18-14(19-23-13)12-4-6-17-7-5-12/h4-7,11H,8-10H2,1-3H3.
What are the key properties of tert-butyl 3-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]azetidine-1-carboxylate?
tert-butyl 3-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]azetidine-1-carboxylate has a molecular weight of 316.36 g/mol, XLogP of 2.54, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]azetidine-1-carboxylate is sourced from PubChem (CID 102655349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).