tert-butyl 4-[(3-aminopyrazol-1-yl)methyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate

C14H24N4O3 — CID 58566256

IUPACtert-butyl 4-[(3-aminopyrazol-1-yl)methyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
SMILESCC(C)(C)OC(=O)N1C(Cn2ccc(N)n2)COC1(C)C
InChIInChI=1S/C14H24N4O3/c1-13(2,3)21-12(19)18-10(9-20-14(18,4)5)8-17-7-6-11(15)16-17/h6-7,10H,8-9H2,1-5H3,(H2,15,16)
InChIKeyBWFSKMRSAMGCBN-UHFFFAOYSA-N
MW296.37 g/mol
LogP1.84
Rot. Bonds2

About tert-butyl 4-[(3-aminopyrazol-1-yl)methyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate

tert-butyl 4-[(3-aminopyrazol-1-yl)methyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate (PubChem CID 58566256) has the molecular formula C14H24N4O3 and a molecular weight of 296.37 g/mol. Its IUPAC name is tert-butyl 4-[(3-aminopyrazol-1-yl)methyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[(3-aminopyrazol-1-yl)methyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
PubChem CID58566256
Molecular FormulaC14H24N4O3
Molecular Weight296.37 g/mol
Exact Mass296.18
IUPAC Nametert-butyl 4-[(3-aminopyrazol-1-yl)methyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
SMILESCC(C)(C)OC(=O)N1C(Cn2ccc(N)n2)COC1(C)C
InChIInChI=1S/C14H24N4O3/c1-13(2,3)21-12(19)18-10(9-20-14(18,4)5)8-17-7-6-11(15)16-17/h6-7,10H,8-9H2,1-5H3,(H2,15,16)
InChIKeyBWFSKMRSAMGCBN-UHFFFAOYSA-N
XLogP1.84
TPSA82.61 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[(3-aminopyrazol-1-yl)methyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate?
The IUPAC name of tert-butyl 4-[(3-aminopyrazol-1-yl)methyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate (CID 58566256) is tert-butyl 4-[(3-aminopyrazol-1-yl)methyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate.
What is the SMILES notation for tert-butyl 4-[(3-aminopyrazol-1-yl)methyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate?
The canonical SMILES for tert-butyl 4-[(3-aminopyrazol-1-yl)methyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate is CC(C)(C)OC(=O)N1C(Cn2ccc(N)n2)COC1(C)C.
What is the InChIKey of tert-butyl 4-[(3-aminopyrazol-1-yl)methyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate?
The InChIKey is BWFSKMRSAMGCBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O3/c1-13(2,3)21-12(19)18-10(9-20-14(18,4)5)8-17-7-6-11(15)16-17/h6-7,10H,8-9H2,1-5H3,(H2,15,16).
What are the key properties of tert-butyl 4-[(3-aminopyrazol-1-yl)methyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate?
tert-butyl 4-[(3-aminopyrazol-1-yl)methyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate has a molecular weight of 296.37 g/mol, XLogP of 1.84, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[(3-aminopyrazol-1-yl)methyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate is sourced from PubChem (CID 58566256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).