3-amino-N-[2-[5-[(dimethylamino)methyl]-1,2,4-oxadiazol-3-yl]propan-2-yl]-2-methyl-3-phenylpropanamide

C18H27N5O2 — CID 119860728

IUPAC3-amino-N-[2-[5-[(dimethylamino)methyl]-1,2,4-oxadiazol-3-yl]propan-2-yl]-2-methyl-3-phenylpropanamide
SMILESCC(C(=O)NC(C)(C)c1noc(CN(C)C)n1)C(N)c1ccccc1
InChIInChI=1S/C18H27N5O2/c1-12(15(19)13-9-7-6-8-10-13)16(24)21-18(2,3)17-20-14(25-22-17)11-23(4)5/h6-10,12,15H,11,19H2,1-5H3,(H,21,24)
InChIKeyLXXGWNBZDSWYLB-UHFFFAOYSA-N
MW345.45 g/mol
LogP1.82
Rot. Bonds7

About 3-amino-N-[2-[5-[(dimethylamino)methyl]-1,2,4-oxadiazol-3-yl]propan-2-yl]-2-methyl-3-phenylpropanamide

3-amino-N-[2-[5-[(dimethylamino)methyl]-1,2,4-oxadiazol-3-yl]propan-2-yl]-2-methyl-3-phenylpropanamide (PubChem CID 119860728) has the molecular formula C18H27N5O2 and a molecular weight of 345.45 g/mol. Its IUPAC name is 3-amino-N-[2-[5-[(dimethylamino)methyl]-1,2,4-oxadiazol-3-yl]propan-2-yl]-2-methyl-3-phenylpropanamide.

Molecular Properties

Compound Name3-amino-N-[2-[5-[(dimethylamino)methyl]-1,2,4-oxadiazol-3-yl]propan-2-yl]-2-methyl-3-phenylpropanamide
PubChem CID119860728
Molecular FormulaC18H27N5O2
Molecular Weight345.45 g/mol
Exact Mass345.22
IUPAC Name3-amino-N-[2-[5-[(dimethylamino)methyl]-1,2,4-oxadiazol-3-yl]propan-2-yl]-2-methyl-3-phenylpropanamide
SMILESCC(C(=O)NC(C)(C)c1noc(CN(C)C)n1)C(N)c1ccccc1
InChIInChI=1S/C18H27N5O2/c1-12(15(19)13-9-7-6-8-10-13)16(24)21-18(2,3)17-20-14(25-22-17)11-23(4)5/h6-10,12,15H,11,19H2,1-5H3,(H,21,24)
InChIKeyLXXGWNBZDSWYLB-UHFFFAOYSA-N
XLogP1.82
TPSA97.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.45
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[2-[5-[(dimethylamino)methyl]-1,2,4-oxadiazol-3-yl]propan-2-yl]-2-methyl-3-phenylpropanamide?
The IUPAC name of 3-amino-N-[2-[5-[(dimethylamino)methyl]-1,2,4-oxadiazol-3-yl]propan-2-yl]-2-methyl-3-phenylpropanamide (CID 119860728) is 3-amino-N-[2-[5-[(dimethylamino)methyl]-1,2,4-oxadiazol-3-yl]propan-2-yl]-2-methyl-3-phenylpropanamide.
What is the SMILES notation for 3-amino-N-[2-[5-[(dimethylamino)methyl]-1,2,4-oxadiazol-3-yl]propan-2-yl]-2-methyl-3-phenylpropanamide?
The canonical SMILES for 3-amino-N-[2-[5-[(dimethylamino)methyl]-1,2,4-oxadiazol-3-yl]propan-2-yl]-2-methyl-3-phenylpropanamide is CC(C(=O)NC(C)(C)c1noc(CN(C)C)n1)C(N)c1ccccc1.
What is the InChIKey of 3-amino-N-[2-[5-[(dimethylamino)methyl]-1,2,4-oxadiazol-3-yl]propan-2-yl]-2-methyl-3-phenylpropanamide?
The InChIKey is LXXGWNBZDSWYLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N5O2/c1-12(15(19)13-9-7-6-8-10-13)16(24)21-18(2,3)17-20-14(25-22-17)11-23(4)5/h6-10,12,15H,11,19H2,1-5H3,(H,21,24).
What are the key properties of 3-amino-N-[2-[5-[(dimethylamino)methyl]-1,2,4-oxadiazol-3-yl]propan-2-yl]-2-methyl-3-phenylpropanamide?
3-amino-N-[2-[5-[(dimethylamino)methyl]-1,2,4-oxadiazol-3-yl]propan-2-yl]-2-methyl-3-phenylpropanamide has a molecular weight of 345.45 g/mol, XLogP of 1.82, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[2-[5-[(dimethylamino)methyl]-1,2,4-oxadiazol-3-yl]propan-2-yl]-2-methyl-3-phenylpropanamide is sourced from PubChem (CID 119860728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).