N-[3-[(2-fluoro-2-methylpropanoyl)-methylamino]propyl]-N-methyl-1,3-oxazole-4-carboxamide

C13H20FN3O3 — CID 139016549

IUPACN-[3-[(2-fluoro-2-methylpropanoyl)-methylamino]propyl]-N-methyl-1,3-oxazole-4-carboxamide
SMILESCN(CCCN(C)C(=O)C(C)(C)F)C(=O)c1cocn1
InChIInChI=1S/C13H20FN3O3/c1-13(2,14)12(19)17(4)7-5-6-16(3)11(18)10-8-20-9-15-10/h8-9H,5-7H2,1-4H3
InChIKeyJFZATSZFAIQVPK-UHFFFAOYSA-N
MW285.32 g/mol
LogP1.34
Rot. Bonds6

About N-[3-[(2-fluoro-2-methylpropanoyl)-methylamino]propyl]-N-methyl-1,3-oxazole-4-carboxamide

N-[3-[(2-fluoro-2-methylpropanoyl)-methylamino]propyl]-N-methyl-1,3-oxazole-4-carboxamide (PubChem CID 139016549) has the molecular formula C13H20FN3O3 and a molecular weight of 285.32 g/mol. Its IUPAC name is N-[3-[(2-fluoro-2-methylpropanoyl)-methylamino]propyl]-N-methyl-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[3-[(2-fluoro-2-methylpropanoyl)-methylamino]propyl]-N-methyl-1,3-oxazole-4-carboxamide
PubChem CID139016549
Molecular FormulaC13H20FN3O3
Molecular Weight285.32 g/mol
Exact Mass285.15
IUPAC NameN-[3-[(2-fluoro-2-methylpropanoyl)-methylamino]propyl]-N-methyl-1,3-oxazole-4-carboxamide
SMILESCN(CCCN(C)C(=O)C(C)(C)F)C(=O)c1cocn1
InChIInChI=1S/C13H20FN3O3/c1-13(2,14)12(19)17(4)7-5-6-16(3)11(18)10-8-20-9-15-10/h8-9H,5-7H2,1-4H3
InChIKeyJFZATSZFAIQVPK-UHFFFAOYSA-N
XLogP1.34
TPSA66.65 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.32
LogP ≤ 51.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[3-[(2-fluoro-2-methylpropanoyl)-methylamino]propyl]-N-methyl-1,3-oxazole-4-carboxamide?
The IUPAC name of N-[3-[(2-fluoro-2-methylpropanoyl)-methylamino]propyl]-N-methyl-1,3-oxazole-4-carboxamide (CID 139016549) is N-[3-[(2-fluoro-2-methylpropanoyl)-methylamino]propyl]-N-methyl-1,3-oxazole-4-carboxamide.
What is the SMILES notation for N-[3-[(2-fluoro-2-methylpropanoyl)-methylamino]propyl]-N-methyl-1,3-oxazole-4-carboxamide?
The canonical SMILES for N-[3-[(2-fluoro-2-methylpropanoyl)-methylamino]propyl]-N-methyl-1,3-oxazole-4-carboxamide is CN(CCCN(C)C(=O)C(C)(C)F)C(=O)c1cocn1.
What is the InChIKey of N-[3-[(2-fluoro-2-methylpropanoyl)-methylamino]propyl]-N-methyl-1,3-oxazole-4-carboxamide?
The InChIKey is JFZATSZFAIQVPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20FN3O3/c1-13(2,14)12(19)17(4)7-5-6-16(3)11(18)10-8-20-9-15-10/h8-9H,5-7H2,1-4H3.
What are the key properties of N-[3-[(2-fluoro-2-methylpropanoyl)-methylamino]propyl]-N-methyl-1,3-oxazole-4-carboxamide?
N-[3-[(2-fluoro-2-methylpropanoyl)-methylamino]propyl]-N-methyl-1,3-oxazole-4-carboxamide has a molecular weight of 285.32 g/mol, XLogP of 1.34, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(2-fluoro-2-methylpropanoyl)-methylamino]propyl]-N-methyl-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 139016549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).