N-tert-butyl-3-[methyl(1,2-oxazol-3-ylmethyl)amino]propanamide

C12H21N3O2 — CID 91831466

IUPACN-tert-butyl-3-[methyl(1,2-oxazol-3-ylmethyl)amino]propanamide
SMILESCN(CCC(=O)NC(C)(C)C)Cc1ccon1
InChIInChI=1S/C12H21N3O2/c1-12(2,3)13-11(16)5-7-15(4)9-10-6-8-17-14-10/h6,8H,5,7,9H2,1-4H3,(H,13,16)
InChIKeyFLMIODCBPRSVDR-UHFFFAOYSA-N
MW239.32 g/mol
LogP1.41
Rot. Bonds5

About N-tert-butyl-3-[methyl(1,2-oxazol-3-ylmethyl)amino]propanamide

N-tert-butyl-3-[methyl(1,2-oxazol-3-ylmethyl)amino]propanamide (PubChem CID 91831466) has the molecular formula C12H21N3O2 and a molecular weight of 239.32 g/mol. Its IUPAC name is N-tert-butyl-3-[methyl(1,2-oxazol-3-ylmethyl)amino]propanamide.

Molecular Properties

Compound NameN-tert-butyl-3-[methyl(1,2-oxazol-3-ylmethyl)amino]propanamide
PubChem CID91831466
Molecular FormulaC12H21N3O2
Molecular Weight239.32 g/mol
Exact Mass239.16
IUPAC NameN-tert-butyl-3-[methyl(1,2-oxazol-3-ylmethyl)amino]propanamide
SMILESCN(CCC(=O)NC(C)(C)C)Cc1ccon1
InChIInChI=1S/C12H21N3O2/c1-12(2,3)13-11(16)5-7-15(4)9-10-6-8-17-14-10/h6,8H,5,7,9H2,1-4H3,(H,13,16)
InChIKeyFLMIODCBPRSVDR-UHFFFAOYSA-N
XLogP1.41
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-3-[methyl(1,2-oxazol-3-ylmethyl)amino]propanamide?
The IUPAC name of N-tert-butyl-3-[methyl(1,2-oxazol-3-ylmethyl)amino]propanamide (CID 91831466) is N-tert-butyl-3-[methyl(1,2-oxazol-3-ylmethyl)amino]propanamide.
What is the SMILES notation for N-tert-butyl-3-[methyl(1,2-oxazol-3-ylmethyl)amino]propanamide?
The canonical SMILES for N-tert-butyl-3-[methyl(1,2-oxazol-3-ylmethyl)amino]propanamide is CN(CCC(=O)NC(C)(C)C)Cc1ccon1.
What is the InChIKey of N-tert-butyl-3-[methyl(1,2-oxazol-3-ylmethyl)amino]propanamide?
The InChIKey is FLMIODCBPRSVDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O2/c1-12(2,3)13-11(16)5-7-15(4)9-10-6-8-17-14-10/h6,8H,5,7,9H2,1-4H3,(H,13,16).
What are the key properties of N-tert-butyl-3-[methyl(1,2-oxazol-3-ylmethyl)amino]propanamide?
N-tert-butyl-3-[methyl(1,2-oxazol-3-ylmethyl)amino]propanamide has a molecular weight of 239.32 g/mol, XLogP of 1.41, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-3-[methyl(1,2-oxazol-3-ylmethyl)amino]propanamide is sourced from PubChem (CID 91831466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).