2-(2-amino-3-methylpentanoyl)-N-(5-tert-butyl-1,2-oxazol-3-yl)pyrazolidine-1-carboxamide;hydrochloride

C17H30ClN5O3 — CID 142676073

IUPAC2-(2-amino-3-methylpentanoyl)-N-(5-tert-butyl-1,2-oxazol-3-yl)pyrazolidine-1-carboxamide;hydrochloride
SMILESCCC(C)C(N)C(=O)N1CCCN1C(=O)Nc1cc(C(C)(C)C)on1.Cl
InChIInChI=1S/C17H29N5O3.ClH/c1-6-11(2)14(18)15(23)21-8-7-9-22(21)16(24)19-13-10-12(25-20-13)17(3,4)5;/h10-11,14H,6-9,18H2,1-5H3,(H,19,20,24);1H
InChIKeyMMYAVELCEIPTHQ-UHFFFAOYSA-N
MW387.91 g/mol
LogP2.75
Rot. Bonds4

About 2-(2-amino-3-methylpentanoyl)-N-(5-tert-butyl-1,2-oxazol-3-yl)pyrazolidine-1-carboxamide;hydrochloride

2-(2-amino-3-methylpentanoyl)-N-(5-tert-butyl-1,2-oxazol-3-yl)pyrazolidine-1-carboxamide;hydrochloride (PubChem CID 142676073) has the molecular formula C17H30ClN5O3 and a molecular weight of 387.91 g/mol. Its IUPAC name is 2-(2-amino-3-methylpentanoyl)-N-(5-tert-butyl-1,2-oxazol-3-yl)pyrazolidine-1-carboxamide;hydrochloride.

Molecular Properties

Compound Name2-(2-amino-3-methylpentanoyl)-N-(5-tert-butyl-1,2-oxazol-3-yl)pyrazolidine-1-carboxamide;hydrochloride
PubChem CID142676073
Molecular FormulaC17H30ClN5O3
Molecular Weight387.91 g/mol
Exact Mass387.20
IUPAC Name2-(2-amino-3-methylpentanoyl)-N-(5-tert-butyl-1,2-oxazol-3-yl)pyrazolidine-1-carboxamide;hydrochloride
SMILESCCC(C)C(N)C(=O)N1CCCN1C(=O)Nc1cc(C(C)(C)C)on1.Cl
InChIInChI=1S/C17H29N5O3.ClH/c1-6-11(2)14(18)15(23)21-8-7-9-22(21)16(24)19-13-10-12(25-20-13)17(3,4)5;/h10-11,14H,6-9,18H2,1-5H3,(H,19,20,24);1H
InChIKeyMMYAVELCEIPTHQ-UHFFFAOYSA-N
XLogP2.75
TPSA104.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.91
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-3-methylpentanoyl)-N-(5-tert-butyl-1,2-oxazol-3-yl)pyrazolidine-1-carboxamide;hydrochloride?
The IUPAC name of 2-(2-amino-3-methylpentanoyl)-N-(5-tert-butyl-1,2-oxazol-3-yl)pyrazolidine-1-carboxamide;hydrochloride (CID 142676073) is 2-(2-amino-3-methylpentanoyl)-N-(5-tert-butyl-1,2-oxazol-3-yl)pyrazolidine-1-carboxamide;hydrochloride.
What is the SMILES notation for 2-(2-amino-3-methylpentanoyl)-N-(5-tert-butyl-1,2-oxazol-3-yl)pyrazolidine-1-carboxamide;hydrochloride?
The canonical SMILES for 2-(2-amino-3-methylpentanoyl)-N-(5-tert-butyl-1,2-oxazol-3-yl)pyrazolidine-1-carboxamide;hydrochloride is CCC(C)C(N)C(=O)N1CCCN1C(=O)Nc1cc(C(C)(C)C)on1.Cl.
What is the InChIKey of 2-(2-amino-3-methylpentanoyl)-N-(5-tert-butyl-1,2-oxazol-3-yl)pyrazolidine-1-carboxamide;hydrochloride?
The InChIKey is MMYAVELCEIPTHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N5O3.ClH/c1-6-11(2)14(18)15(23)21-8-7-9-22(21)16(24)19-13-10-12(25-20-13)17(3,4)5;/h10-11,14H,6-9,18H2,1-5H3,(H,19,20,24);1H.
What are the key properties of 2-(2-amino-3-methylpentanoyl)-N-(5-tert-butyl-1,2-oxazol-3-yl)pyrazolidine-1-carboxamide;hydrochloride?
2-(2-amino-3-methylpentanoyl)-N-(5-tert-butyl-1,2-oxazol-3-yl)pyrazolidine-1-carboxamide;hydrochloride has a molecular weight of 387.91 g/mol, XLogP of 2.75, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-3-methylpentanoyl)-N-(5-tert-butyl-1,2-oxazol-3-yl)pyrazolidine-1-carboxamide;hydrochloride is sourced from PubChem (CID 142676073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).