4-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]morpholine-3-carboxamide

C13H21N3O3 — CID 75471043

IUPAC4-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]morpholine-3-carboxamide
SMILESCC(C)(C)c1cnc(CN2CCOCC2C(N)=O)o1
InChIInChI=1S/C13H21N3O3/c1-13(2,3)10-6-15-11(19-10)7-16-4-5-18-8-9(16)12(14)17/h6,9H,4-5,7-8H2,1-3H3,(H2,14,17)
InChIKeyQWRYKNYODGFZMV-UHFFFAOYSA-N
MW267.33 g/mol
LogP0.66
Rot. Bonds3

About 4-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]morpholine-3-carboxamide

4-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]morpholine-3-carboxamide (PubChem CID 75471043) has the molecular formula C13H21N3O3 and a molecular weight of 267.33 g/mol. Its IUPAC name is 4-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]morpholine-3-carboxamide.

Molecular Properties

Compound Name4-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]morpholine-3-carboxamide
PubChem CID75471043
Molecular FormulaC13H21N3O3
Molecular Weight267.33 g/mol
Exact Mass267.16
IUPAC Name4-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]morpholine-3-carboxamide
SMILESCC(C)(C)c1cnc(CN2CCOCC2C(N)=O)o1
InChIInChI=1S/C13H21N3O3/c1-13(2,3)10-6-15-11(19-10)7-16-4-5-18-8-9(16)12(14)17/h6,9H,4-5,7-8H2,1-3H3,(H2,14,17)
InChIKeyQWRYKNYODGFZMV-UHFFFAOYSA-N
XLogP0.66
TPSA81.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 50.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]morpholine-3-carboxamide?
The IUPAC name of 4-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]morpholine-3-carboxamide (CID 75471043) is 4-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]morpholine-3-carboxamide.
What is the SMILES notation for 4-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]morpholine-3-carboxamide?
The canonical SMILES for 4-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]morpholine-3-carboxamide is CC(C)(C)c1cnc(CN2CCOCC2C(N)=O)o1.
What is the InChIKey of 4-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]morpholine-3-carboxamide?
The InChIKey is QWRYKNYODGFZMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O3/c1-13(2,3)10-6-15-11(19-10)7-16-4-5-18-8-9(16)12(14)17/h6,9H,4-5,7-8H2,1-3H3,(H2,14,17).
What are the key properties of 4-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]morpholine-3-carboxamide?
4-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]morpholine-3-carboxamide has a molecular weight of 267.33 g/mol, XLogP of 0.66, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]morpholine-3-carboxamide is sourced from PubChem (CID 75471043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).