4-[1-amino-3,3-dimethyl-1-oxo-2-(pyrrolidine-1-carbonyl)butan-2-yl]-1,3-benzoxazole-2-carboxamide

C19H24N4O4 — CID 146292062

IUPAC4-[1-amino-3,3-dimethyl-1-oxo-2-(pyrrolidine-1-carbonyl)butan-2-yl]-1,3-benzoxazole-2-carboxamide
SMILESCC(C)(C)C(C(N)=O)(C(=O)N1CCCC1)c1cccc2oc(C(N)=O)nc12
InChIInChI=1S/C19H24N4O4/c1-18(2,3)19(16(21)25,17(26)23-9-4-5-10-23)11-7-6-8-12-13(11)22-15(27-12)14(20)24/h6-8H,4-5,9-10H2,1-3H3,(H2,20,24)(H2,21,25)
InChIKeyXVQVSIWKJPJACA-UHFFFAOYSA-N
MW372.43 g/mol
LogP1.32
Rot. Bonds4

About 4-[1-amino-3,3-dimethyl-1-oxo-2-(pyrrolidine-1-carbonyl)butan-2-yl]-1,3-benzoxazole-2-carboxamide

4-[1-amino-3,3-dimethyl-1-oxo-2-(pyrrolidine-1-carbonyl)butan-2-yl]-1,3-benzoxazole-2-carboxamide (PubChem CID 146292062) has the molecular formula C19H24N4O4 and a molecular weight of 372.43 g/mol. Its IUPAC name is 4-[1-amino-3,3-dimethyl-1-oxo-2-(pyrrolidine-1-carbonyl)butan-2-yl]-1,3-benzoxazole-2-carboxamide.

Molecular Properties

Compound Name4-[1-amino-3,3-dimethyl-1-oxo-2-(pyrrolidine-1-carbonyl)butan-2-yl]-1,3-benzoxazole-2-carboxamide
PubChem CID146292062
Molecular FormulaC19H24N4O4
Molecular Weight372.43 g/mol
Exact Mass372.18
IUPAC Name4-[1-amino-3,3-dimethyl-1-oxo-2-(pyrrolidine-1-carbonyl)butan-2-yl]-1,3-benzoxazole-2-carboxamide
SMILESCC(C)(C)C(C(N)=O)(C(=O)N1CCCC1)c1cccc2oc(C(N)=O)nc12
InChIInChI=1S/C19H24N4O4/c1-18(2,3)19(16(21)25,17(26)23-9-4-5-10-23)11-7-6-8-12-13(11)22-15(27-12)14(20)24/h6-8H,4-5,9-10H2,1-3H3,(H2,20,24)(H2,21,25)
InChIKeyXVQVSIWKJPJACA-UHFFFAOYSA-N
XLogP1.32
TPSA132.52 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.43
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[1-amino-3,3-dimethyl-1-oxo-2-(pyrrolidine-1-carbonyl)butan-2-yl]-1,3-benzoxazole-2-carboxamide?
The IUPAC name of 4-[1-amino-3,3-dimethyl-1-oxo-2-(pyrrolidine-1-carbonyl)butan-2-yl]-1,3-benzoxazole-2-carboxamide (CID 146292062) is 4-[1-amino-3,3-dimethyl-1-oxo-2-(pyrrolidine-1-carbonyl)butan-2-yl]-1,3-benzoxazole-2-carboxamide.
What is the SMILES notation for 4-[1-amino-3,3-dimethyl-1-oxo-2-(pyrrolidine-1-carbonyl)butan-2-yl]-1,3-benzoxazole-2-carboxamide?
The canonical SMILES for 4-[1-amino-3,3-dimethyl-1-oxo-2-(pyrrolidine-1-carbonyl)butan-2-yl]-1,3-benzoxazole-2-carboxamide is CC(C)(C)C(C(N)=O)(C(=O)N1CCCC1)c1cccc2oc(C(N)=O)nc12.
What is the InChIKey of 4-[1-amino-3,3-dimethyl-1-oxo-2-(pyrrolidine-1-carbonyl)butan-2-yl]-1,3-benzoxazole-2-carboxamide?
The InChIKey is XVQVSIWKJPJACA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O4/c1-18(2,3)19(16(21)25,17(26)23-9-4-5-10-23)11-7-6-8-12-13(11)22-15(27-12)14(20)24/h6-8H,4-5,9-10H2,1-3H3,(H2,20,24)(H2,21,25).
What are the key properties of 4-[1-amino-3,3-dimethyl-1-oxo-2-(pyrrolidine-1-carbonyl)butan-2-yl]-1,3-benzoxazole-2-carboxamide?
4-[1-amino-3,3-dimethyl-1-oxo-2-(pyrrolidine-1-carbonyl)butan-2-yl]-1,3-benzoxazole-2-carboxamide has a molecular weight of 372.43 g/mol, XLogP of 1.32, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-amino-3,3-dimethyl-1-oxo-2-(pyrrolidine-1-carbonyl)butan-2-yl]-1,3-benzoxazole-2-carboxamide is sourced from PubChem (CID 146292062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).