2-cyclobutyl-5-methyl-N-(3-pyrrolidin-1-ylbutyl)-1,3-oxazole-4-carboxamide

C17H27N3O2 — CID 53195361

IUPAC2-cyclobutyl-5-methyl-N-(3-pyrrolidin-1-ylbutyl)-1,3-oxazole-4-carboxamide
SMILESCc1oc(C2CCC2)nc1C(=O)NCCC(C)N1CCCC1
InChIInChI=1S/C17H27N3O2/c1-12(20-10-3-4-11-20)8-9-18-16(21)15-13(2)22-17(19-15)14-6-5-7-14/h12,14H,3-11H2,1-2H3,(H,18,21)
InChIKeyYKTUOFJAAFOVTN-UHFFFAOYSA-N
MW305.42 g/mol
LogP2.85
Rot. Bonds6

About 2-cyclobutyl-5-methyl-N-(3-pyrrolidin-1-ylbutyl)-1,3-oxazole-4-carboxamide

2-cyclobutyl-5-methyl-N-(3-pyrrolidin-1-ylbutyl)-1,3-oxazole-4-carboxamide (PubChem CID 53195361) has the molecular formula C17H27N3O2 and a molecular weight of 305.42 g/mol. Its IUPAC name is 2-cyclobutyl-5-methyl-N-(3-pyrrolidin-1-ylbutyl)-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name2-cyclobutyl-5-methyl-N-(3-pyrrolidin-1-ylbutyl)-1,3-oxazole-4-carboxamide
PubChem CID53195361
Molecular FormulaC17H27N3O2
Molecular Weight305.42 g/mol
Exact Mass305.21
IUPAC Name2-cyclobutyl-5-methyl-N-(3-pyrrolidin-1-ylbutyl)-1,3-oxazole-4-carboxamide
SMILESCc1oc(C2CCC2)nc1C(=O)NCCC(C)N1CCCC1
InChIInChI=1S/C17H27N3O2/c1-12(20-10-3-4-11-20)8-9-18-16(21)15-13(2)22-17(19-15)14-6-5-7-14/h12,14H,3-11H2,1-2H3,(H,18,21)
InChIKeyYKTUOFJAAFOVTN-UHFFFAOYSA-N
XLogP2.85
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.42
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-cyclobutyl-5-methyl-N-(3-pyrrolidin-1-ylbutyl)-1,3-oxazole-4-carboxamide?
The IUPAC name of 2-cyclobutyl-5-methyl-N-(3-pyrrolidin-1-ylbutyl)-1,3-oxazole-4-carboxamide (CID 53195361) is 2-cyclobutyl-5-methyl-N-(3-pyrrolidin-1-ylbutyl)-1,3-oxazole-4-carboxamide.
What is the SMILES notation for 2-cyclobutyl-5-methyl-N-(3-pyrrolidin-1-ylbutyl)-1,3-oxazole-4-carboxamide?
The canonical SMILES for 2-cyclobutyl-5-methyl-N-(3-pyrrolidin-1-ylbutyl)-1,3-oxazole-4-carboxamide is Cc1oc(C2CCC2)nc1C(=O)NCCC(C)N1CCCC1.
What is the InChIKey of 2-cyclobutyl-5-methyl-N-(3-pyrrolidin-1-ylbutyl)-1,3-oxazole-4-carboxamide?
The InChIKey is YKTUOFJAAFOVTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O2/c1-12(20-10-3-4-11-20)8-9-18-16(21)15-13(2)22-17(19-15)14-6-5-7-14/h12,14H,3-11H2,1-2H3,(H,18,21).
What are the key properties of 2-cyclobutyl-5-methyl-N-(3-pyrrolidin-1-ylbutyl)-1,3-oxazole-4-carboxamide?
2-cyclobutyl-5-methyl-N-(3-pyrrolidin-1-ylbutyl)-1,3-oxazole-4-carboxamide has a molecular weight of 305.42 g/mol, XLogP of 2.85, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclobutyl-5-methyl-N-(3-pyrrolidin-1-ylbutyl)-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 53195361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).