2-(2-amino-3-methylpentanoyl)-N-(5-ethoxy-1,2-oxazol-3-yl)pyrazolidine-1-carboxamide

C15H25N5O4 — CID 85428889

IUPAC2-(2-amino-3-methylpentanoyl)-N-(5-ethoxy-1,2-oxazol-3-yl)pyrazolidine-1-carboxamide
SMILESCCOc1cc(NC(=O)N2CCCN2C(=O)C(N)C(C)CC)no1
InChIInChI=1S/C15H25N5O4/c1-4-10(3)13(16)14(21)19-7-6-8-20(19)15(22)17-11-9-12(23-5-2)24-18-11/h9-10,13H,4-8,16H2,1-3H3,(H,17,18,22)
InChIKeyQGKXKICJUPCEQI-UHFFFAOYSA-N
MW339.40 g/mol
LogP1.43
Rot. Bonds6

About 2-(2-amino-3-methylpentanoyl)-N-(5-ethoxy-1,2-oxazol-3-yl)pyrazolidine-1-carboxamide

2-(2-amino-3-methylpentanoyl)-N-(5-ethoxy-1,2-oxazol-3-yl)pyrazolidine-1-carboxamide (PubChem CID 85428889) has the molecular formula C15H25N5O4 and a molecular weight of 339.40 g/mol. Its IUPAC name is 2-(2-amino-3-methylpentanoyl)-N-(5-ethoxy-1,2-oxazol-3-yl)pyrazolidine-1-carboxamide.

Molecular Properties

Compound Name2-(2-amino-3-methylpentanoyl)-N-(5-ethoxy-1,2-oxazol-3-yl)pyrazolidine-1-carboxamide
PubChem CID85428889
Molecular FormulaC15H25N5O4
Molecular Weight339.40 g/mol
Exact Mass339.19
IUPAC Name2-(2-amino-3-methylpentanoyl)-N-(5-ethoxy-1,2-oxazol-3-yl)pyrazolidine-1-carboxamide
SMILESCCOc1cc(NC(=O)N2CCCN2C(=O)C(N)C(C)CC)no1
InChIInChI=1S/C15H25N5O4/c1-4-10(3)13(16)14(21)19-7-6-8-20(19)15(22)17-11-9-12(23-5-2)24-18-11/h9-10,13H,4-8,16H2,1-3H3,(H,17,18,22)
InChIKeyQGKXKICJUPCEQI-UHFFFAOYSA-N
XLogP1.43
TPSA113.93 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-3-methylpentanoyl)-N-(5-ethoxy-1,2-oxazol-3-yl)pyrazolidine-1-carboxamide?
The IUPAC name of 2-(2-amino-3-methylpentanoyl)-N-(5-ethoxy-1,2-oxazol-3-yl)pyrazolidine-1-carboxamide (CID 85428889) is 2-(2-amino-3-methylpentanoyl)-N-(5-ethoxy-1,2-oxazol-3-yl)pyrazolidine-1-carboxamide.
What is the SMILES notation for 2-(2-amino-3-methylpentanoyl)-N-(5-ethoxy-1,2-oxazol-3-yl)pyrazolidine-1-carboxamide?
The canonical SMILES for 2-(2-amino-3-methylpentanoyl)-N-(5-ethoxy-1,2-oxazol-3-yl)pyrazolidine-1-carboxamide is CCOc1cc(NC(=O)N2CCCN2C(=O)C(N)C(C)CC)no1.
What is the InChIKey of 2-(2-amino-3-methylpentanoyl)-N-(5-ethoxy-1,2-oxazol-3-yl)pyrazolidine-1-carboxamide?
The InChIKey is QGKXKICJUPCEQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N5O4/c1-4-10(3)13(16)14(21)19-7-6-8-20(19)15(22)17-11-9-12(23-5-2)24-18-11/h9-10,13H,4-8,16H2,1-3H3,(H,17,18,22).
What are the key properties of 2-(2-amino-3-methylpentanoyl)-N-(5-ethoxy-1,2-oxazol-3-yl)pyrazolidine-1-carboxamide?
2-(2-amino-3-methylpentanoyl)-N-(5-ethoxy-1,2-oxazol-3-yl)pyrazolidine-1-carboxamide has a molecular weight of 339.40 g/mol, XLogP of 1.43, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-3-methylpentanoyl)-N-(5-ethoxy-1,2-oxazol-3-yl)pyrazolidine-1-carboxamide is sourced from PubChem (CID 85428889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).