5-ethyl-N-(2-methyl-3-pyrrolidin-1-ylpropyl)-1,3-oxazole-4-carboxamide

C14H23N3O2 — CID 139003076

IUPAC5-ethyl-N-(2-methyl-3-pyrrolidin-1-ylpropyl)-1,3-oxazole-4-carboxamide
SMILESCCc1ocnc1C(=O)NCC(C)CN1CCCC1
InChIInChI=1S/C14H23N3O2/c1-3-12-13(16-10-19-12)14(18)15-8-11(2)9-17-6-4-5-7-17/h10-11H,3-9H2,1-2H3,(H,15,18)
InChIKeyKCHHGCLDQHSVMO-UHFFFAOYSA-N
MW265.36 g/mol
LogP1.70
Rot. Bonds6

About 5-ethyl-N-(2-methyl-3-pyrrolidin-1-ylpropyl)-1,3-oxazole-4-carboxamide

5-ethyl-N-(2-methyl-3-pyrrolidin-1-ylpropyl)-1,3-oxazole-4-carboxamide (PubChem CID 139003076) has the molecular formula C14H23N3O2 and a molecular weight of 265.36 g/mol. Its IUPAC name is 5-ethyl-N-(2-methyl-3-pyrrolidin-1-ylpropyl)-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name5-ethyl-N-(2-methyl-3-pyrrolidin-1-ylpropyl)-1,3-oxazole-4-carboxamide
PubChem CID139003076
Molecular FormulaC14H23N3O2
Molecular Weight265.36 g/mol
Exact Mass265.18
IUPAC Name5-ethyl-N-(2-methyl-3-pyrrolidin-1-ylpropyl)-1,3-oxazole-4-carboxamide
SMILESCCc1ocnc1C(=O)NCC(C)CN1CCCC1
InChIInChI=1S/C14H23N3O2/c1-3-12-13(16-10-19-12)14(18)15-8-11(2)9-17-6-4-5-7-17/h10-11H,3-9H2,1-2H3,(H,15,18)
InChIKeyKCHHGCLDQHSVMO-UHFFFAOYSA-N
XLogP1.70
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-N-(2-methyl-3-pyrrolidin-1-ylpropyl)-1,3-oxazole-4-carboxamide?
The IUPAC name of 5-ethyl-N-(2-methyl-3-pyrrolidin-1-ylpropyl)-1,3-oxazole-4-carboxamide (CID 139003076) is 5-ethyl-N-(2-methyl-3-pyrrolidin-1-ylpropyl)-1,3-oxazole-4-carboxamide.
What is the SMILES notation for 5-ethyl-N-(2-methyl-3-pyrrolidin-1-ylpropyl)-1,3-oxazole-4-carboxamide?
The canonical SMILES for 5-ethyl-N-(2-methyl-3-pyrrolidin-1-ylpropyl)-1,3-oxazole-4-carboxamide is CCc1ocnc1C(=O)NCC(C)CN1CCCC1.
What is the InChIKey of 5-ethyl-N-(2-methyl-3-pyrrolidin-1-ylpropyl)-1,3-oxazole-4-carboxamide?
The InChIKey is KCHHGCLDQHSVMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2/c1-3-12-13(16-10-19-12)14(18)15-8-11(2)9-17-6-4-5-7-17/h10-11H,3-9H2,1-2H3,(H,15,18).
What are the key properties of 5-ethyl-N-(2-methyl-3-pyrrolidin-1-ylpropyl)-1,3-oxazole-4-carboxamide?
5-ethyl-N-(2-methyl-3-pyrrolidin-1-ylpropyl)-1,3-oxazole-4-carboxamide has a molecular weight of 265.36 g/mol, XLogP of 1.70, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-N-(2-methyl-3-pyrrolidin-1-ylpropyl)-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 139003076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).