1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-N-methylpyrrolidine-2-carboxamide

C14H23N3O2 — CID 47377165

IUPAC1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-N-methylpyrrolidine-2-carboxamide
SMILESCNC(=O)C1CCCN1Cc1ncc(C(C)(C)C)o1
InChIInChI=1S/C14H23N3O2/c1-14(2,3)11-8-16-12(19-11)9-17-7-5-6-10(17)13(18)15-4/h8,10H,5-7,9H2,1-4H3,(H,15,18)
InChIKeyADIGARAABRRICF-UHFFFAOYSA-N
MW265.36 g/mol
LogP1.68
Rot. Bonds3

About 1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-N-methylpyrrolidine-2-carboxamide

1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-N-methylpyrrolidine-2-carboxamide (PubChem CID 47377165) has the molecular formula C14H23N3O2 and a molecular weight of 265.36 g/mol. Its IUPAC name is 1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-N-methylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-N-methylpyrrolidine-2-carboxamide
PubChem CID47377165
Molecular FormulaC14H23N3O2
Molecular Weight265.36 g/mol
Exact Mass265.18
IUPAC Name1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-N-methylpyrrolidine-2-carboxamide
SMILESCNC(=O)C1CCCN1Cc1ncc(C(C)(C)C)o1
InChIInChI=1S/C14H23N3O2/c1-14(2,3)11-8-16-12(19-11)9-17-7-5-6-10(17)13(18)15-4/h8,10H,5-7,9H2,1-4H3,(H,15,18)
InChIKeyADIGARAABRRICF-UHFFFAOYSA-N
XLogP1.68
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-N-methylpyrrolidine-2-carboxamide?
The IUPAC name of 1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-N-methylpyrrolidine-2-carboxamide (CID 47377165) is 1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-N-methylpyrrolidine-2-carboxamide.
What is the SMILES notation for 1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-N-methylpyrrolidine-2-carboxamide?
The canonical SMILES for 1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-N-methylpyrrolidine-2-carboxamide is CNC(=O)C1CCCN1Cc1ncc(C(C)(C)C)o1.
What is the InChIKey of 1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-N-methylpyrrolidine-2-carboxamide?
The InChIKey is ADIGARAABRRICF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2/c1-14(2,3)11-8-16-12(19-11)9-17-7-5-6-10(17)13(18)15-4/h8,10H,5-7,9H2,1-4H3,(H,15,18).
What are the key properties of 1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-N-methylpyrrolidine-2-carboxamide?
1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-N-methylpyrrolidine-2-carboxamide has a molecular weight of 265.36 g/mol, XLogP of 1.68, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-N-methylpyrrolidine-2-carboxamide is sourced from PubChem (CID 47377165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).