2-(1-aminobutyl)-N-cyclopropyl-1,3-oxazole-4-carboxamide

C11H17N3O2 — CID 5156440

IUPAC2-(1-aminobutyl)-N-cyclopropyl-1,3-oxazole-4-carboxamide
SMILESCCCC(N)c1nc(C(=O)NC2CC2)co1
InChIInChI=1S/C11H17N3O2/c1-2-3-8(12)11-14-9(6-16-11)10(15)13-7-4-5-7/h6-8H,2-5,12H2,1H3,(H,13,15)
InChIKeyFAEDWHSLUBSEDI-UHFFFAOYSA-N
MW223.28 g/mol
LogP1.37
Rot. Bonds5

About 2-(1-aminobutyl)-N-cyclopropyl-1,3-oxazole-4-carboxamide

2-(1-aminobutyl)-N-cyclopropyl-1,3-oxazole-4-carboxamide (PubChem CID 5156440) has the molecular formula C11H17N3O2 and a molecular weight of 223.28 g/mol. Its IUPAC name is 2-(1-aminobutyl)-N-cyclopropyl-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name2-(1-aminobutyl)-N-cyclopropyl-1,3-oxazole-4-carboxamide
PubChem CID5156440
Molecular FormulaC11H17N3O2
Molecular Weight223.28 g/mol
Exact Mass223.13
IUPAC Name2-(1-aminobutyl)-N-cyclopropyl-1,3-oxazole-4-carboxamide
SMILESCCCC(N)c1nc(C(=O)NC2CC2)co1
InChIInChI=1S/C11H17N3O2/c1-2-3-8(12)11-14-9(6-16-11)10(15)13-7-4-5-7/h6-8H,2-5,12H2,1H3,(H,13,15)
InChIKeyFAEDWHSLUBSEDI-UHFFFAOYSA-N
XLogP1.37
TPSA81.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(1-aminobutyl)-N-cyclopropyl-1,3-oxazole-4-carboxamide?
The IUPAC name of 2-(1-aminobutyl)-N-cyclopropyl-1,3-oxazole-4-carboxamide (CID 5156440) is 2-(1-aminobutyl)-N-cyclopropyl-1,3-oxazole-4-carboxamide.
What is the SMILES notation for 2-(1-aminobutyl)-N-cyclopropyl-1,3-oxazole-4-carboxamide?
The canonical SMILES for 2-(1-aminobutyl)-N-cyclopropyl-1,3-oxazole-4-carboxamide is CCCC(N)c1nc(C(=O)NC2CC2)co1.
What is the InChIKey of 2-(1-aminobutyl)-N-cyclopropyl-1,3-oxazole-4-carboxamide?
The InChIKey is FAEDWHSLUBSEDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2/c1-2-3-8(12)11-14-9(6-16-11)10(15)13-7-4-5-7/h6-8H,2-5,12H2,1H3,(H,13,15).
What are the key properties of 2-(1-aminobutyl)-N-cyclopropyl-1,3-oxazole-4-carboxamide?
2-(1-aminobutyl)-N-cyclopropyl-1,3-oxazole-4-carboxamide has a molecular weight of 223.28 g/mol, XLogP of 1.37, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-aminobutyl)-N-cyclopropyl-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 5156440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).