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

C15H22N4O4 — CID 102791043

IUPACtert-butyl 3-[[3-(cyclopropylcarbamoyl)-1,2,4-oxadiazol-5-yl]methyl]azetidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CC(Cc2nc(C(=O)NC3CC3)no2)C1
InChIInChI=1S/C15H22N4O4/c1-15(2,3)22-14(21)19-7-9(8-19)6-11-17-12(18-23-11)13(20)16-10-4-5-10/h9-10H,4-8H2,1-3H3,(H,16,20)
InChIKeyQNLVZNMFXNXXCY-UHFFFAOYSA-N
MW322.37 g/mol
LogP1.37
Rot. Bonds4

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

tert-butyl 3-[[3-(cyclopropylcarbamoyl)-1,2,4-oxadiazol-5-yl]methyl]azetidine-1-carboxylate (PubChem CID 102791043) has the molecular formula C15H22N4O4 and a molecular weight of 322.37 g/mol. Its IUPAC name is tert-butyl 3-[[3-(cyclopropylcarbamoyl)-1,2,4-oxadiazol-5-yl]methyl]azetidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-[[3-(cyclopropylcarbamoyl)-1,2,4-oxadiazol-5-yl]methyl]azetidine-1-carboxylate
PubChem CID102791043
Molecular FormulaC15H22N4O4
Molecular Weight322.37 g/mol
Exact Mass322.16
IUPAC Nametert-butyl 3-[[3-(cyclopropylcarbamoyl)-1,2,4-oxadiazol-5-yl]methyl]azetidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CC(Cc2nc(C(=O)NC3CC3)no2)C1
InChIInChI=1S/C15H22N4O4/c1-15(2,3)22-14(21)19-7-9(8-19)6-11-17-12(18-23-11)13(20)16-10-4-5-10/h9-10H,4-8H2,1-3H3,(H,16,20)
InChIKeyQNLVZNMFXNXXCY-UHFFFAOYSA-N
XLogP1.37
TPSA97.56 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.37
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

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Related Compounds

tert-butyl 3-[[3-(2-methoxypropyl)-1,2,4-oxadiazol-5-yl]methyl]azetidine-1-carboxylate
CID 102655607
tert-butyl 3-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]azetidine-1-carboxylate
CID 102655349
tert-butyl 3-[[3-(1-ethoxypropyl)-1,2,4-oxadiazol-5-yl]methyl]azetidine-1-carboxylate
CID 102655624
tert-butyl 3-[[3-(2H-triazol-4-yl)-1,2,4-oxadiazol-5-yl]methyl]azetidine-1-carboxylate
CID 102655561
tert-butyl 3-[[3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]methyl]azetidine-1-carboxylate
CID 102655486
tert-butyl 3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-1-carboxylate
CID 90641592
5-(aminooxymethyl)-N-cyclopropyl-1,2,4-oxadiazole-3-carboxamide
CID 102790953
tert-butyl 3-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]azetidine-1-carboxylate
CID 63303055
tert-butyl 4-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]piperidine-1-carboxylate
CID 103729598
tert-butyl 3-[[6-(cyclopropylcarbamoyl)-5-fluoro-3-pyridinyl]oxymethyl]azetidine-1-carboxylate
CID 170316001
tert-butyl 3-(1H-imidazol-2-ylmethyl)azetidine-1-carboxylate
CID 175251955
N-cyclopropyl-5-(2-piperidin-4-yloxyethyl)-1,2,4-oxadiazole-3-carboxamide
CID 102790886

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-[[3-(cyclopropylcarbamoyl)-1,2,4-oxadiazol-5-yl]methyl]azetidine-1-carboxylate?
The IUPAC name of tert-butyl 3-[[3-(cyclopropylcarbamoyl)-1,2,4-oxadiazol-5-yl]methyl]azetidine-1-carboxylate (CID 102791043) is tert-butyl 3-[[3-(cyclopropylcarbamoyl)-1,2,4-oxadiazol-5-yl]methyl]azetidine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-[[3-(cyclopropylcarbamoyl)-1,2,4-oxadiazol-5-yl]methyl]azetidine-1-carboxylate?
The canonical SMILES for tert-butyl 3-[[3-(cyclopropylcarbamoyl)-1,2,4-oxadiazol-5-yl]methyl]azetidine-1-carboxylate is CC(C)(C)OC(=O)N1CC(Cc2nc(C(=O)NC3CC3)no2)C1.
What is the InChIKey of tert-butyl 3-[[3-(cyclopropylcarbamoyl)-1,2,4-oxadiazol-5-yl]methyl]azetidine-1-carboxylate?
The InChIKey is QNLVZNMFXNXXCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O4/c1-15(2,3)22-14(21)19-7-9(8-19)6-11-17-12(18-23-11)13(20)16-10-4-5-10/h9-10H,4-8H2,1-3H3,(H,16,20).
What are the key properties of tert-butyl 3-[[3-(cyclopropylcarbamoyl)-1,2,4-oxadiazol-5-yl]methyl]azetidine-1-carboxylate?
tert-butyl 3-[[3-(cyclopropylcarbamoyl)-1,2,4-oxadiazol-5-yl]methyl]azetidine-1-carboxylate has a molecular weight of 322.37 g/mol, XLogP of 1.37, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-[[3-(cyclopropylcarbamoyl)-1,2,4-oxadiazol-5-yl]methyl]azetidine-1-carboxylate is sourced from PubChem (CID 102791043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).