N-[[4,5-bis[(Z)-prop-1-enyl]-1,3-oxazol-2-yl]methyl]-2-(methylamino)acetamide;ethane

C15H25N3O2 — CID 142558237

IUPACN-[[4,5-bis[(Z)-prop-1-enyl]-1,3-oxazol-2-yl]methyl]-2-(methylamino)acetamide;ethane
SMILESC/C=C\c1nc(CNC(=O)CNC)oc1/C=C\C.CC
InChIInChI=1S/C13H19N3O2.C2H6/c1-4-6-10-11(7-5-2)18-13(16-10)9-15-12(17)8-14-3;1-2/h4-7,14H,8-9H2,1-3H3,(H,15,17);1-2H3/b6-4-,7-5-;
InChIKeyIDTZQBMYQBBTHJ-ISOJEIHBSA-N
MW279.38 g/mol
LogP2.60
Rot. Bonds6

About N-[[4,5-bis[(Z)-prop-1-enyl]-1,3-oxazol-2-yl]methyl]-2-(methylamino)acetamide;ethane

N-[[4,5-bis[(Z)-prop-1-enyl]-1,3-oxazol-2-yl]methyl]-2-(methylamino)acetamide;ethane (PubChem CID 142558237) has the molecular formula C15H25N3O2 and a molecular weight of 279.38 g/mol. Its IUPAC name is N-[[4,5-bis[(Z)-prop-1-enyl]-1,3-oxazol-2-yl]methyl]-2-(methylamino)acetamide;ethane.

Molecular Properties

Compound NameN-[[4,5-bis[(Z)-prop-1-enyl]-1,3-oxazol-2-yl]methyl]-2-(methylamino)acetamide;ethane
PubChem CID142558237
Molecular FormulaC15H25N3O2
Molecular Weight279.38 g/mol
Exact Mass279.19
IUPAC NameN-[[4,5-bis[(Z)-prop-1-enyl]-1,3-oxazol-2-yl]methyl]-2-(methylamino)acetamide;ethane
SMILESC/C=C\c1nc(CNC(=O)CNC)oc1/C=C\C.CC
InChIInChI=1S/C13H19N3O2.C2H6/c1-4-6-10-11(7-5-2)18-13(16-10)9-15-12(17)8-14-3;1-2/h4-7,14H,8-9H2,1-3H3,(H,15,17);1-2H3/b6-4-,7-5-;
InChIKeyIDTZQBMYQBBTHJ-ISOJEIHBSA-N
XLogP2.60
TPSA67.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[4,5-bis[(Z)-prop-1-enyl]-1,3-oxazol-2-yl]methyl]-2-(methylamino)acetamide;ethane?
The IUPAC name of N-[[4,5-bis[(Z)-prop-1-enyl]-1,3-oxazol-2-yl]methyl]-2-(methylamino)acetamide;ethane (CID 142558237) is N-[[4,5-bis[(Z)-prop-1-enyl]-1,3-oxazol-2-yl]methyl]-2-(methylamino)acetamide;ethane.
What is the SMILES notation for N-[[4,5-bis[(Z)-prop-1-enyl]-1,3-oxazol-2-yl]methyl]-2-(methylamino)acetamide;ethane?
The canonical SMILES for N-[[4,5-bis[(Z)-prop-1-enyl]-1,3-oxazol-2-yl]methyl]-2-(methylamino)acetamide;ethane is C/C=C\c1nc(CNC(=O)CNC)oc1/C=C\C.CC.
What is the InChIKey of N-[[4,5-bis[(Z)-prop-1-enyl]-1,3-oxazol-2-yl]methyl]-2-(methylamino)acetamide;ethane?
The InChIKey is IDTZQBMYQBBTHJ-ISOJEIHBSA-N. The full InChI is InChI=1S/C13H19N3O2.C2H6/c1-4-6-10-11(7-5-2)18-13(16-10)9-15-12(17)8-14-3;1-2/h4-7,14H,8-9H2,1-3H3,(H,15,17);1-2H3/b6-4-,7-5-;.
What are the key properties of N-[[4,5-bis[(Z)-prop-1-enyl]-1,3-oxazol-2-yl]methyl]-2-(methylamino)acetamide;ethane?
N-[[4,5-bis[(Z)-prop-1-enyl]-1,3-oxazol-2-yl]methyl]-2-(methylamino)acetamide;ethane has a molecular weight of 279.38 g/mol, XLogP of 2.60, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4,5-bis[(Z)-prop-1-enyl]-1,3-oxazol-2-yl]methyl]-2-(methylamino)acetamide;ethane is sourced from PubChem (CID 142558237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).