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

C13H19N3O2 — CID 142558238

IUPACN-[[4,5-bis[(Z)-prop-1-enyl]-1,3-oxazol-2-yl]methyl]-2-(methylamino)acetamide
SMILESC/C=C\c1nc(CNC(=O)CNC)oc1/C=C\C
InChIInChI=1S/C13H19N3O2/c1-4-6-10-11(7-5-2)18-13(16-10)9-15-12(17)8-14-3/h4-7,14H,8-9H2,1-3H3,(H,15,17)/b6-4-,7-5-
InChIKeyFJHPBYGIEIJSJN-PEPZGXQESA-N
MW249.31 g/mol
LogP1.58
Rot. Bonds6

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

N-[[4,5-bis[(Z)-prop-1-enyl]-1,3-oxazol-2-yl]methyl]-2-(methylamino)acetamide (PubChem CID 142558238) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is N-[[4,5-bis[(Z)-prop-1-enyl]-1,3-oxazol-2-yl]methyl]-2-(methylamino)acetamide.

Molecular Properties

Compound NameN-[[4,5-bis[(Z)-prop-1-enyl]-1,3-oxazol-2-yl]methyl]-2-(methylamino)acetamide
PubChem CID142558238
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC NameN-[[4,5-bis[(Z)-prop-1-enyl]-1,3-oxazol-2-yl]methyl]-2-(methylamino)acetamide
SMILESC/C=C\c1nc(CNC(=O)CNC)oc1/C=C\C
InChIInChI=1S/C13H19N3O2/c1-4-6-10-11(7-5-2)18-13(16-10)9-15-12(17)8-14-3/h4-7,14H,8-9H2,1-3H3,(H,15,17)/b6-4-,7-5-
InChIKeyFJHPBYGIEIJSJN-PEPZGXQESA-N
XLogP1.58
TPSA67.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 51.58
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?
The IUPAC name of N-[[4,5-bis[(Z)-prop-1-enyl]-1,3-oxazol-2-yl]methyl]-2-(methylamino)acetamide (CID 142558238) is N-[[4,5-bis[(Z)-prop-1-enyl]-1,3-oxazol-2-yl]methyl]-2-(methylamino)acetamide.
What is the SMILES notation for N-[[4,5-bis[(Z)-prop-1-enyl]-1,3-oxazol-2-yl]methyl]-2-(methylamino)acetamide?
The canonical SMILES for N-[[4,5-bis[(Z)-prop-1-enyl]-1,3-oxazol-2-yl]methyl]-2-(methylamino)acetamide is C/C=C\c1nc(CNC(=O)CNC)oc1/C=C\C.
What is the InChIKey of N-[[4,5-bis[(Z)-prop-1-enyl]-1,3-oxazol-2-yl]methyl]-2-(methylamino)acetamide?
The InChIKey is FJHPBYGIEIJSJN-PEPZGXQESA-N. The full InChI is InChI=1S/C13H19N3O2/c1-4-6-10-11(7-5-2)18-13(16-10)9-15-12(17)8-14-3/h4-7,14H,8-9H2,1-3H3,(H,15,17)/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?
N-[[4,5-bis[(Z)-prop-1-enyl]-1,3-oxazol-2-yl]methyl]-2-(methylamino)acetamide has a molecular weight of 249.31 g/mol, XLogP of 1.58, 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 is sourced from PubChem (CID 142558238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).