N-[3-[(1E)-1-hydroxyimino-2-methylpropan-2-yl]-1,2-oxazol-5-yl]-1-(oxan-4-yl)pyrrolidine-2-carboxamide

C17H26N4O4 — CID 144745379

IUPACN-[3-[(1E)-1-hydroxyimino-2-methylpropan-2-yl]-1,2-oxazol-5-yl]-1-(oxan-4-yl)pyrrolidine-2-carboxamide
SMILESCC(C)(/C=N/O)c1cc(NC(=O)C2CCCN2C2CCOCC2)on1
InChIInChI=1S/C17H26N4O4/c1-17(2,11-18-23)14-10-15(25-20-14)19-16(22)13-4-3-7-21(13)12-5-8-24-9-6-12/h10-13,23H,3-9H2,1-2H3,(H,19,22)/b18-11+
InChIKeyPHJDKPCAPOSFRH-WOJGMQOQSA-N
MW350.42 g/mol
LogP1.99
Rot. Bonds5

About N-[3-[(1E)-1-hydroxyimino-2-methylpropan-2-yl]-1,2-oxazol-5-yl]-1-(oxan-4-yl)pyrrolidine-2-carboxamide

N-[3-[(1E)-1-hydroxyimino-2-methylpropan-2-yl]-1,2-oxazol-5-yl]-1-(oxan-4-yl)pyrrolidine-2-carboxamide (PubChem CID 144745379) has the molecular formula C17H26N4O4 and a molecular weight of 350.42 g/mol. Its IUPAC name is N-[3-[(1E)-1-hydroxyimino-2-methylpropan-2-yl]-1,2-oxazol-5-yl]-1-(oxan-4-yl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-[3-[(1E)-1-hydroxyimino-2-methylpropan-2-yl]-1,2-oxazol-5-yl]-1-(oxan-4-yl)pyrrolidine-2-carboxamide
PubChem CID144745379
Molecular FormulaC17H26N4O4
Molecular Weight350.42 g/mol
Exact Mass350.20
IUPAC NameN-[3-[(1E)-1-hydroxyimino-2-methylpropan-2-yl]-1,2-oxazol-5-yl]-1-(oxan-4-yl)pyrrolidine-2-carboxamide
SMILESCC(C)(/C=N/O)c1cc(NC(=O)C2CCCN2C2CCOCC2)on1
InChIInChI=1S/C17H26N4O4/c1-17(2,11-18-23)14-10-15(25-20-14)19-16(22)13-4-3-7-21(13)12-5-8-24-9-6-12/h10-13,23H,3-9H2,1-2H3,(H,19,22)/b18-11+
InChIKeyPHJDKPCAPOSFRH-WOJGMQOQSA-N
XLogP1.99
TPSA100.19 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(2S,4R)-N-(3-tert-butyl-1,2-oxazol-5-yl)-1-cyclopentyl-4-hydroxypyrrolidine-2-carboxamide
CID 67953276
N-(1,4-dimethyl-6-oxo-3-pyridinyl)-1-(oxan-4-yl)pyrrolidine-2-carboxamide
CID 127616242
(2S)-N-(5-tert-butyl-1,2-oxazol-3-yl)-1-cyclopentylpiperidine-2-carboxamide
CID 46873516
(2S)-N-(3-tert-butyl-1,2-oxazol-5-yl)-1-(1,1-dioxo-1,4-thiazinane-4-carbonyl)pyrrolidine-2-carboxamide
CID 67953320
N-([1,3]dioxolo[4,5-f][1,3]benzothiazol-6-yl)-1-(oxan-4-yl)pyrrolidine-2-carboxamide
CID 155957578
N-[4-(2-hydroxyethyl)phenyl]-1-(oxan-4-yl)pyrrolidine-2-carboxamide
CID 84599579
2-(5-tert-butyl-1,2-oxazol-3-yl)-1-[(2S)-1-(oxan-4-yl)piperidin-2-yl]ethanone
CID 58564046
N-[3-(2-hydroxypropan-2-yl)-1,2-oxazol-5-yl]-1-(oxan-4-ylsulfonyl)cyclobutane-1-carboxamide
CID 54770586
(2S)-1-(oxan-4-yl)-N-[(2S)-1-thiophen-2-ylpropan-2-yl]pyrrolidine-2-carboxamide
CID 124591408
1-(oxan-4-yl)pyrrolidine-2-carboxylic acid
CID 51063851
(2R)-1-(oxan-4-yl)pyrrolidine-2-carboxylic acid
CID 51980114
N-[3-(2-methylbutan-2-yl)-1,2-oxazol-5-yl]-4-(oxane-4-carbonyl)-1,4-diazepane-1-carboxamide
CID 59143333

Frequently Asked Questions

What is the IUPAC name of N-[3-[(1E)-1-hydroxyimino-2-methylpropan-2-yl]-1,2-oxazol-5-yl]-1-(oxan-4-yl)pyrrolidine-2-carboxamide?
The IUPAC name of N-[3-[(1E)-1-hydroxyimino-2-methylpropan-2-yl]-1,2-oxazol-5-yl]-1-(oxan-4-yl)pyrrolidine-2-carboxamide (CID 144745379) is N-[3-[(1E)-1-hydroxyimino-2-methylpropan-2-yl]-1,2-oxazol-5-yl]-1-(oxan-4-yl)pyrrolidine-2-carboxamide.
What is the SMILES notation for N-[3-[(1E)-1-hydroxyimino-2-methylpropan-2-yl]-1,2-oxazol-5-yl]-1-(oxan-4-yl)pyrrolidine-2-carboxamide?
The canonical SMILES for N-[3-[(1E)-1-hydroxyimino-2-methylpropan-2-yl]-1,2-oxazol-5-yl]-1-(oxan-4-yl)pyrrolidine-2-carboxamide is CC(C)(/C=N/O)c1cc(NC(=O)C2CCCN2C2CCOCC2)on1.
What is the InChIKey of N-[3-[(1E)-1-hydroxyimino-2-methylpropan-2-yl]-1,2-oxazol-5-yl]-1-(oxan-4-yl)pyrrolidine-2-carboxamide?
The InChIKey is PHJDKPCAPOSFRH-WOJGMQOQSA-N. The full InChI is InChI=1S/C17H26N4O4/c1-17(2,11-18-23)14-10-15(25-20-14)19-16(22)13-4-3-7-21(13)12-5-8-24-9-6-12/h10-13,23H,3-9H2,1-2H3,(H,19,22)/b18-11+.
What are the key properties of N-[3-[(1E)-1-hydroxyimino-2-methylpropan-2-yl]-1,2-oxazol-5-yl]-1-(oxan-4-yl)pyrrolidine-2-carboxamide?
N-[3-[(1E)-1-hydroxyimino-2-methylpropan-2-yl]-1,2-oxazol-5-yl]-1-(oxan-4-yl)pyrrolidine-2-carboxamide has a molecular weight of 350.42 g/mol, XLogP of 1.99, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(1E)-1-hydroxyimino-2-methylpropan-2-yl]-1,2-oxazol-5-yl]-1-(oxan-4-yl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 144745379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).