2-cyclopentyl-N-[(3S)-2,6-dioxopiperidin-3-yl]-1,3-oxazole-4-carboxamide

C14H17N3O4 — CID 164634443

IUPAC2-cyclopentyl-N-[(3S)-2,6-dioxopiperidin-3-yl]-1,3-oxazole-4-carboxamide
SMILESO=C1CC[C@H](NC(=O)c2coc(C3CCCC3)n2)C(=O)N1
InChIInChI=1S/C14H17N3O4/c18-11-6-5-9(12(19)17-11)15-13(20)10-7-21-14(16-10)8-3-1-2-4-8/h7-9H,1-6H2,(H,15,20)(H,17,18,19)/t9-/m0/s1
InChIKeyCUCDCJWABJPICZ-VIFPVBQESA-N
MW291.31 g/mol
LogP0.87
Rot. Bonds3

About 2-cyclopentyl-N-[(3S)-2,6-dioxopiperidin-3-yl]-1,3-oxazole-4-carboxamide

2-cyclopentyl-N-[(3S)-2,6-dioxopiperidin-3-yl]-1,3-oxazole-4-carboxamide (PubChem CID 164634443) has the molecular formula C14H17N3O4 and a molecular weight of 291.31 g/mol. Its IUPAC name is 2-cyclopentyl-N-[(3S)-2,6-dioxopiperidin-3-yl]-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name2-cyclopentyl-N-[(3S)-2,6-dioxopiperidin-3-yl]-1,3-oxazole-4-carboxamide
PubChem CID164634443
Molecular FormulaC14H17N3O4
Molecular Weight291.31 g/mol
Exact Mass291.12
IUPAC Name2-cyclopentyl-N-[(3S)-2,6-dioxopiperidin-3-yl]-1,3-oxazole-4-carboxamide
SMILESO=C1CC[C@H](NC(=O)c2coc(C3CCCC3)n2)C(=O)N1
InChIInChI=1S/C14H17N3O4/c18-11-6-5-9(12(19)17-11)15-13(20)10-7-21-14(16-10)8-3-1-2-4-8/h7-9H,1-6H2,(H,15,20)(H,17,18,19)/t9-/m0/s1
InChIKeyCUCDCJWABJPICZ-VIFPVBQESA-N
XLogP0.87
TPSA101.30 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.31
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-N-[(3S)-2,6-dioxopiperidin-3-yl]-1,3-oxazole-4-carboxamide?
The IUPAC name of 2-cyclopentyl-N-[(3S)-2,6-dioxopiperidin-3-yl]-1,3-oxazole-4-carboxamide (CID 164634443) is 2-cyclopentyl-N-[(3S)-2,6-dioxopiperidin-3-yl]-1,3-oxazole-4-carboxamide.
What is the SMILES notation for 2-cyclopentyl-N-[(3S)-2,6-dioxopiperidin-3-yl]-1,3-oxazole-4-carboxamide?
The canonical SMILES for 2-cyclopentyl-N-[(3S)-2,6-dioxopiperidin-3-yl]-1,3-oxazole-4-carboxamide is O=C1CC[C@H](NC(=O)c2coc(C3CCCC3)n2)C(=O)N1.
What is the InChIKey of 2-cyclopentyl-N-[(3S)-2,6-dioxopiperidin-3-yl]-1,3-oxazole-4-carboxamide?
The InChIKey is CUCDCJWABJPICZ-VIFPVBQESA-N. The full InChI is InChI=1S/C14H17N3O4/c18-11-6-5-9(12(19)17-11)15-13(20)10-7-21-14(16-10)8-3-1-2-4-8/h7-9H,1-6H2,(H,15,20)(H,17,18,19)/t9-/m0/s1.
What are the key properties of 2-cyclopentyl-N-[(3S)-2,6-dioxopiperidin-3-yl]-1,3-oxazole-4-carboxamide?
2-cyclopentyl-N-[(3S)-2,6-dioxopiperidin-3-yl]-1,3-oxazole-4-carboxamide has a molecular weight of 291.31 g/mol, XLogP of 0.87, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-N-[(3S)-2,6-dioxopiperidin-3-yl]-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 164634443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).