(3R)-1-tert-butyl-N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-5-oxopyrrolidine-3-carboxamide

C17H27N3O3 — CID 97139756

IUPAC(3R)-1-tert-butyl-N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-5-oxopyrrolidine-3-carboxamide
SMILESCc1noc(C)c1CCCNC(=O)[C@@H]1CC(=O)N(C(C)(C)C)C1
InChIInChI=1S/C17H27N3O3/c1-11-14(12(2)23-19-11)7-6-8-18-16(22)13-9-15(21)20(10-13)17(3,4)5/h13H,6-10H2,1-5H3,(H,18,22)/t13-/m1/s1
InChIKeyIPEYZOBAJWGLGF-CYBMUJFWSA-N
MW321.42 g/mol
LogP1.99
Rot. Bonds5

About (3R)-1-tert-butyl-N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-5-oxopyrrolidine-3-carboxamide

(3R)-1-tert-butyl-N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-5-oxopyrrolidine-3-carboxamide (PubChem CID 97139756) has the molecular formula C17H27N3O3 and a molecular weight of 321.42 g/mol. Its IUPAC name is (3R)-1-tert-butyl-N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-tert-butyl-N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-5-oxopyrrolidine-3-carboxamide
PubChem CID97139756
Molecular FormulaC17H27N3O3
Molecular Weight321.42 g/mol
Exact Mass321.21
IUPAC Name(3R)-1-tert-butyl-N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-5-oxopyrrolidine-3-carboxamide
SMILESCc1noc(C)c1CCCNC(=O)[C@@H]1CC(=O)N(C(C)(C)C)C1
InChIInChI=1S/C17H27N3O3/c1-11-14(12(2)23-19-11)7-6-8-18-16(22)13-9-15(21)20(10-13)17(3,4)5/h13H,6-10H2,1-5H3,(H,18,22)/t13-/m1/s1
InChIKeyIPEYZOBAJWGLGF-CYBMUJFWSA-N
XLogP1.99
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.42
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(3S)-1-tert-butyl-5-oxo-N-(3-pyridin-4-ylpropyl)pyrrolidine-3-carboxamide
CID 97110470
1-tert-butyl-N-[3-(4-fluorophenyl)propyl]-5-oxopyrrolidine-3-carboxamide
CID 70741168
1-tert-butyl-N-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 70716589
1-(cyclopropanecarbonyl)-N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]piperidine-4-carboxamide
CID 72871515
(6R)-N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-2-methyl-3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
CID 125157221
1-tert-butyl-N-[2-(dimethylamino)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 18885871
1-tert-butyl-N-[(4-methyl-1,3-oxazol-5-yl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 138035616
1-tert-butyl-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 70778524
1-tert-butyl-N-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 70732801
1-tert-butyl-N-[2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 128645425
(3S)-N-[2-(3-benzyl-1,2,4-oxadiazol-5-yl)ethyl]-1-tert-butyl-5-oxopyrrolidine-3-carboxamide
CID 97119837
(3S)-N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 97029666

Frequently Asked Questions

What is the IUPAC name of (3R)-1-tert-butyl-N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of (3R)-1-tert-butyl-N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-5-oxopyrrolidine-3-carboxamide (CID 97139756) is (3R)-1-tert-butyl-N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for (3R)-1-tert-butyl-N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for (3R)-1-tert-butyl-N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-5-oxopyrrolidine-3-carboxamide is Cc1noc(C)c1CCCNC(=O)[C@@H]1CC(=O)N(C(C)(C)C)C1.
What is the InChIKey of (3R)-1-tert-butyl-N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-5-oxopyrrolidine-3-carboxamide?
The InChIKey is IPEYZOBAJWGLGF-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H27N3O3/c1-11-14(12(2)23-19-11)7-6-8-18-16(22)13-9-15(21)20(10-13)17(3,4)5/h13H,6-10H2,1-5H3,(H,18,22)/t13-/m1/s1.
What are the key properties of (3R)-1-tert-butyl-N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-5-oxopyrrolidine-3-carboxamide?
(3R)-1-tert-butyl-N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-5-oxopyrrolidine-3-carboxamide has a molecular weight of 321.42 g/mol, XLogP of 1.99, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-tert-butyl-N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 97139756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).