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

C18H31N5O5 — CID 123201155

IUPACtert-butyl 3-[[5-[1-(2,3-dihydroxy-4-methylimidazolidin-1-yl)propyl]-1,3,4-oxadiazol-2-yl]methyl]azetidine-1-carboxylate
SMILESCCC(c1nnc(CC2CN(C(=O)OC(C)(C)C)C2)o1)N1CC(C)N(O)C1O
InChIInChI=1S/C18H31N5O5/c1-6-13(22-8-11(2)23(26)16(22)24)15-20-19-14(27-15)7-12-9-21(10-12)17(25)28-18(3,4)5/h11-13,16,24,26H,6-10H2,1-5H3
InChIKeyGUKLYMLAZGZDPW-UHFFFAOYSA-N
MW397.48 g/mol
LogP1.60
Rot. Bonds5

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

tert-butyl 3-[[5-[1-(2,3-dihydroxy-4-methylimidazolidin-1-yl)propyl]-1,3,4-oxadiazol-2-yl]methyl]azetidine-1-carboxylate (PubChem CID 123201155) has the molecular formula C18H31N5O5 and a molecular weight of 397.48 g/mol. Its IUPAC name is tert-butyl 3-[[5-[1-(2,3-dihydroxy-4-methylimidazolidin-1-yl)propyl]-1,3,4-oxadiazol-2-yl]methyl]azetidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-[[5-[1-(2,3-dihydroxy-4-methylimidazolidin-1-yl)propyl]-1,3,4-oxadiazol-2-yl]methyl]azetidine-1-carboxylate
PubChem CID123201155
Molecular FormulaC18H31N5O5
Molecular Weight397.48 g/mol
Exact Mass397.23
IUPAC Nametert-butyl 3-[[5-[1-(2,3-dihydroxy-4-methylimidazolidin-1-yl)propyl]-1,3,4-oxadiazol-2-yl]methyl]azetidine-1-carboxylate
SMILESCCC(c1nnc(CC2CN(C(=O)OC(C)(C)C)C2)o1)N1CC(C)N(O)C1O
InChIInChI=1S/C18H31N5O5/c1-6-13(22-8-11(2)23(26)16(22)24)15-20-19-14(27-15)7-12-9-21(10-12)17(25)28-18(3,4)5/h11-13,16,24,26H,6-10H2,1-5H3
InChIKeyGUKLYMLAZGZDPW-UHFFFAOYSA-N
XLogP1.60
TPSA115.40 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.48
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze tert-butyl 3-[[5-[1-(2,3-dihydroxy-4-methylimidazolidin-1-yl)propyl]-1,3,4-oxadiazol-2-yl]methyl]azetidine-1-carboxylate 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

tert-butyl 3-[[3-(1-ethoxypropyl)-1,2,4-oxadiazol-5-yl]methyl]azetidine-1-carboxylate
CID 102655624
tert-butyl 3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)azetidine-1-carboxylate
CID 169167060
tert-butyl 3-[[3-(2-methoxypropyl)-1,2,4-oxadiazol-5-yl]methyl]azetidine-1-carboxylate
CID 102655607
tert-butyl 3-(1H-imidazol-2-ylmethyl)azetidine-1-carboxylate
CID 175251955
tert-butyl 3-[[3-(cyclopropylcarbamoyl)-1,2,4-oxadiazol-5-yl]methyl]azetidine-1-carboxylate
CID 102791043
tert-butyl (3S,4S)-3,4-dimethylpyrrolidine-1-carboxylate
CID 90195379
tert-butyl 3-[[5-[(2S,5R)-7-oxo-6-phenylmethoxy-1,6-diazabicyclo[3.2.1]octan-2-yl]-1,3,4-oxadiazol-2-yl]methyl]azetidine-1-carboxylate
CID 86701054
tert-butyl 3-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]azetidine-1-carboxylate
CID 102655349
tert-butyl (3R,4R,5R,6S)-3,4,5,6-tetrahydroxyazepane-1-carboxylate
CID 139845782
tert-butyl (3R,5S)-3-amino-5-methylpiperidine-1-carboxylate
CID 67986310
tert-butyl (3S,5R)-3-amino-5-methylpiperidine-1-carboxylate
CID 118796258
tert-butyl 3-[[3-(2H-triazol-4-yl)-1,2,4-oxadiazol-5-yl]methyl]azetidine-1-carboxylate
CID 102655561

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-[[5-[1-(2,3-dihydroxy-4-methylimidazolidin-1-yl)propyl]-1,3,4-oxadiazol-2-yl]methyl]azetidine-1-carboxylate?
The IUPAC name of tert-butyl 3-[[5-[1-(2,3-dihydroxy-4-methylimidazolidin-1-yl)propyl]-1,3,4-oxadiazol-2-yl]methyl]azetidine-1-carboxylate (CID 123201155) is tert-butyl 3-[[5-[1-(2,3-dihydroxy-4-methylimidazolidin-1-yl)propyl]-1,3,4-oxadiazol-2-yl]methyl]azetidine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-[[5-[1-(2,3-dihydroxy-4-methylimidazolidin-1-yl)propyl]-1,3,4-oxadiazol-2-yl]methyl]azetidine-1-carboxylate?
The canonical SMILES for tert-butyl 3-[[5-[1-(2,3-dihydroxy-4-methylimidazolidin-1-yl)propyl]-1,3,4-oxadiazol-2-yl]methyl]azetidine-1-carboxylate is CCC(c1nnc(CC2CN(C(=O)OC(C)(C)C)C2)o1)N1CC(C)N(O)C1O.
What is the InChIKey of tert-butyl 3-[[5-[1-(2,3-dihydroxy-4-methylimidazolidin-1-yl)propyl]-1,3,4-oxadiazol-2-yl]methyl]azetidine-1-carboxylate?
The InChIKey is GUKLYMLAZGZDPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N5O5/c1-6-13(22-8-11(2)23(26)16(22)24)15-20-19-14(27-15)7-12-9-21(10-12)17(25)28-18(3,4)5/h11-13,16,24,26H,6-10H2,1-5H3.
What are the key properties of tert-butyl 3-[[5-[1-(2,3-dihydroxy-4-methylimidazolidin-1-yl)propyl]-1,3,4-oxadiazol-2-yl]methyl]azetidine-1-carboxylate?
tert-butyl 3-[[5-[1-(2,3-dihydroxy-4-methylimidazolidin-1-yl)propyl]-1,3,4-oxadiazol-2-yl]methyl]azetidine-1-carboxylate has a molecular weight of 397.48 g/mol, XLogP of 1.60, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-[[5-[1-(2,3-dihydroxy-4-methylimidazolidin-1-yl)propyl]-1,3,4-oxadiazol-2-yl]methyl]azetidine-1-carboxylate is sourced from PubChem (CID 123201155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).