tert-butyl 4-(4-amino-5-carbamoyl-1,2-oxazol-3-yl)piperidine-1-carboxylate

C14H22N4O4 — CID 145134817

IUPACtert-butyl 4-(4-amino-5-carbamoyl-1,2-oxazol-3-yl)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(c2noc(C(N)=O)c2N)CC1
InChIInChI=1S/C14H22N4O4/c1-14(2,3)21-13(20)18-6-4-8(5-7-18)10-9(15)11(12(16)19)22-17-10/h8H,4-7,15H2,1-3H3,(H2,16,19)
InChIKeyPIKLNTMFALRRQG-UHFFFAOYSA-N
MW310.35 g/mol
LogP1.47
Rot. Bonds2

About tert-butyl 4-(4-amino-5-carbamoyl-1,2-oxazol-3-yl)piperidine-1-carboxylate

tert-butyl 4-(4-amino-5-carbamoyl-1,2-oxazol-3-yl)piperidine-1-carboxylate (PubChem CID 145134817) has the molecular formula C14H22N4O4 and a molecular weight of 310.35 g/mol. Its IUPAC name is tert-butyl 4-(4-amino-5-carbamoyl-1,2-oxazol-3-yl)piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-(4-amino-5-carbamoyl-1,2-oxazol-3-yl)piperidine-1-carboxylate
PubChem CID145134817
Molecular FormulaC14H22N4O4
Molecular Weight310.35 g/mol
Exact Mass310.16
IUPAC Nametert-butyl 4-(4-amino-5-carbamoyl-1,2-oxazol-3-yl)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(c2noc(C(N)=O)c2N)CC1
InChIInChI=1S/C14H22N4O4/c1-14(2,3)21-13(20)18-6-4-8(5-7-18)10-9(15)11(12(16)19)22-17-10/h8H,4-7,15H2,1-3H3,(H2,16,19)
InChIKeyPIKLNTMFALRRQG-UHFFFAOYSA-N
XLogP1.47
TPSA124.68 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.35
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(4-amino-5-carbamoyl-1,2-oxazol-3-yl)piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-(4-amino-5-carbamoyl-1,2-oxazol-3-yl)piperidine-1-carboxylate (CID 145134817) is tert-butyl 4-(4-amino-5-carbamoyl-1,2-oxazol-3-yl)piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-(4-amino-5-carbamoyl-1,2-oxazol-3-yl)piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-(4-amino-5-carbamoyl-1,2-oxazol-3-yl)piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(c2noc(C(N)=O)c2N)CC1.
What is the InChIKey of tert-butyl 4-(4-amino-5-carbamoyl-1,2-oxazol-3-yl)piperidine-1-carboxylate?
The InChIKey is PIKLNTMFALRRQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O4/c1-14(2,3)21-13(20)18-6-4-8(5-7-18)10-9(15)11(12(16)19)22-17-10/h8H,4-7,15H2,1-3H3,(H2,16,19).
What are the key properties of tert-butyl 4-(4-amino-5-carbamoyl-1,2-oxazol-3-yl)piperidine-1-carboxylate?
tert-butyl 4-(4-amino-5-carbamoyl-1,2-oxazol-3-yl)piperidine-1-carboxylate has a molecular weight of 310.35 g/mol, XLogP of 1.47, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(4-amino-5-carbamoyl-1,2-oxazol-3-yl)piperidine-1-carboxylate is sourced from PubChem (CID 145134817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).