4-[5-[(tert-butylamino)methyl]-1,3,4-oxadiazol-2-yl]-N-methylmorpholine-3-carboxamide

C13H23N5O3 — CID 106963772

IUPAC4-[5-[(tert-butylamino)methyl]-1,3,4-oxadiazol-2-yl]-N-methylmorpholine-3-carboxamide
SMILESCNC(=O)C1COCCN1c1nnc(CNC(C)(C)C)o1
InChIInChI=1S/C13H23N5O3/c1-13(2,3)15-7-10-16-17-12(21-10)18-5-6-20-8-9(18)11(19)14-4/h9,15H,5-8H2,1-4H3,(H,14,19)
InChIKeyOPEHLZOVYWNAPL-UHFFFAOYSA-N
MW297.36 g/mol
LogP-0.09
Rot. Bonds4

About 4-[5-[(tert-butylamino)methyl]-1,3,4-oxadiazol-2-yl]-N-methylmorpholine-3-carboxamide

4-[5-[(tert-butylamino)methyl]-1,3,4-oxadiazol-2-yl]-N-methylmorpholine-3-carboxamide (PubChem CID 106963772) has the molecular formula C13H23N5O3 and a molecular weight of 297.36 g/mol. Its IUPAC name is 4-[5-[(tert-butylamino)methyl]-1,3,4-oxadiazol-2-yl]-N-methylmorpholine-3-carboxamide.

Molecular Properties

Compound Name4-[5-[(tert-butylamino)methyl]-1,3,4-oxadiazol-2-yl]-N-methylmorpholine-3-carboxamide
PubChem CID106963772
Molecular FormulaC13H23N5O3
Molecular Weight297.36 g/mol
Exact Mass297.18
IUPAC Name4-[5-[(tert-butylamino)methyl]-1,3,4-oxadiazol-2-yl]-N-methylmorpholine-3-carboxamide
SMILESCNC(=O)C1COCCN1c1nnc(CNC(C)(C)C)o1
InChIInChI=1S/C13H23N5O3/c1-13(2,3)15-7-10-16-17-12(21-10)18-5-6-20-8-9(18)11(19)14-4/h9,15H,5-8H2,1-4H3,(H,14,19)
InChIKeyOPEHLZOVYWNAPL-UHFFFAOYSA-N
XLogP-0.09
TPSA92.52 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 5-0.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-methyl-1-[5-(methylaminomethyl)-1,3,4-oxadiazol-2-yl]pyrrolidine-2-carboxamide
CID 106959889
1-[5-[(cyclopropylamino)methyl]-1,3,4-oxadiazol-2-yl]-N-methylpyrrolidine-2-carboxamide
CID 106959892
1-[5-(3-ethylmorpholin-4-yl)-1,3,4-oxadiazol-2-yl]-N-methylmethanamine
CID 106969411
2-methyl-N-[[5-(2-methylazepan-1-yl)-1,3,4-oxadiazol-2-yl]methyl]propan-2-amine
CID 106961987
N-[[5-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-1,3,4-oxadiazol-2-yl]methyl]-2-methylpropan-2-amine
CID 106965699
4-(4,6-dichloro-1,3,5-triazin-2-yl)-N-methylmorpholine-3-carboxamide
CID 83103129
4-[5-ethyl-6-(ethylamino)pyrimidin-4-yl]-N-methylmorpholine-3-carboxamide
CID 83105672
4-(6-amino-3-pyridinyl)-N-methylmorpholine-3-carboxamide
CID 83106485
N-methyl-4-[5-methyl-6-(propylamino)pyrimidin-4-yl]morpholine-3-carboxamide
CID 83105081
4-[5-(1-aminoethyl)-1,3,4-oxadiazol-2-yl]-N-propylmorpholine-3-carboxamide
CID 106963754
4-[5-ethyl-6-(methylamino)pyrimidin-4-yl]-N-methylmorpholine-3-carboxamide
CID 83104376
1-[5-[(tert-butylamino)methyl]-1,3,4-oxadiazol-2-yl]-4-methylpiperidin-4-ol
CID 106963185

Frequently Asked Questions

What is the IUPAC name of 4-[5-[(tert-butylamino)methyl]-1,3,4-oxadiazol-2-yl]-N-methylmorpholine-3-carboxamide?
The IUPAC name of 4-[5-[(tert-butylamino)methyl]-1,3,4-oxadiazol-2-yl]-N-methylmorpholine-3-carboxamide (CID 106963772) is 4-[5-[(tert-butylamino)methyl]-1,3,4-oxadiazol-2-yl]-N-methylmorpholine-3-carboxamide.
What is the SMILES notation for 4-[5-[(tert-butylamino)methyl]-1,3,4-oxadiazol-2-yl]-N-methylmorpholine-3-carboxamide?
The canonical SMILES for 4-[5-[(tert-butylamino)methyl]-1,3,4-oxadiazol-2-yl]-N-methylmorpholine-3-carboxamide is CNC(=O)C1COCCN1c1nnc(CNC(C)(C)C)o1.
What is the InChIKey of 4-[5-[(tert-butylamino)methyl]-1,3,4-oxadiazol-2-yl]-N-methylmorpholine-3-carboxamide?
The InChIKey is OPEHLZOVYWNAPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N5O3/c1-13(2,3)15-7-10-16-17-12(21-10)18-5-6-20-8-9(18)11(19)14-4/h9,15H,5-8H2,1-4H3,(H,14,19).
What are the key properties of 4-[5-[(tert-butylamino)methyl]-1,3,4-oxadiazol-2-yl]-N-methylmorpholine-3-carboxamide?
4-[5-[(tert-butylamino)methyl]-1,3,4-oxadiazol-2-yl]-N-methylmorpholine-3-carboxamide has a molecular weight of 297.36 g/mol, XLogP of -0.09, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-[(tert-butylamino)methyl]-1,3,4-oxadiazol-2-yl]-N-methylmorpholine-3-carboxamide is sourced from PubChem (CID 106963772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).