1-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]-N-[(2-methylpropan-2-yl)oxy]pyrrolidine-2-carboxamide;propane

C18H31N3O4 — CID 142573256

IUPAC1-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]-N-[(2-methylpropan-2-yl)oxy]pyrrolidine-2-carboxamide;propane
SMILESCCC.Cc1cc(CC(=O)N2CCCC2C(=O)NOC(C)(C)C)on1
InChIInChI=1S/C15H23N3O4.C3H8/c1-10-8-11(21-16-10)9-13(19)18-7-5-6-12(18)14(20)17-22-15(2,3)4;1-3-2/h8,12H,5-7,9H2,1-4H3,(H,17,20);3H2,1-2H3
InChIKeyWLPSQRTVHKYVRC-UHFFFAOYSA-N
MW353.46 g/mol
LogP2.78
Rot. Bonds4

About 1-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]-N-[(2-methylpropan-2-yl)oxy]pyrrolidine-2-carboxamide;propane

1-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]-N-[(2-methylpropan-2-yl)oxy]pyrrolidine-2-carboxamide;propane (PubChem CID 142573256) has the molecular formula C18H31N3O4 and a molecular weight of 353.46 g/mol. Its IUPAC name is 1-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]-N-[(2-methylpropan-2-yl)oxy]pyrrolidine-2-carboxamide;propane.

Molecular Properties

Compound Name1-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]-N-[(2-methylpropan-2-yl)oxy]pyrrolidine-2-carboxamide;propane
PubChem CID142573256
Molecular FormulaC18H31N3O4
Molecular Weight353.46 g/mol
Exact Mass353.23
IUPAC Name1-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]-N-[(2-methylpropan-2-yl)oxy]pyrrolidine-2-carboxamide;propane
SMILESCCC.Cc1cc(CC(=O)N2CCCC2C(=O)NOC(C)(C)C)on1
InChIInChI=1S/C15H23N3O4.C3H8/c1-10-8-11(21-16-10)9-13(19)18-7-5-6-12(18)14(20)17-22-15(2,3)4;1-3-2/h8,12H,5-7,9H2,1-4H3,(H,17,20);3H2,1-2H3
InChIKeyWLPSQRTVHKYVRC-UHFFFAOYSA-N
XLogP2.78
TPSA84.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.46
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-1-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]pyrrolidine-2-carboxamide
CID 123930502
1-[(2S)-2-acetylpyrrolidin-1-yl]-2-(3-methyl-1,2-oxazol-5-yl)ethanone
CID 163976262
N-[(2,4-dimethylphenyl)methyl]-1-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]pyrrolidine-2-carboxamide
CID 146358006
(2S)-1-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]-N-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidine-2-carboxamide
CID 162614759
[(2R)-2-[[(2S)-1-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]pyrrolidine-2-carbonyl]amino]-2-(4-methylphenyl)ethyl] N-propylcarbamate
CID 146357861
(2S)-N-[[4-[(Z)-2-amino-1-hydrazinylethenyl]phenyl]methyl]-1-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]pyrrolidine-2-carboxamide
CID 155026976
N-methyl-1-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]-N-[(4-methylphenyl)methyl]pyrrolidine-2-carboxamide
CID 146357842
N-[(2,4-dimethylphenyl)methyl]-1-[3-(3-methyl-1,2-oxazol-5-yl)propanoyl]pyrrolidine-2-carboxamide
CID 146358308
1-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]-N-[[2-methyl-4-(1,3-oxazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide
CID 146357956
tert-butyl (2R)-1-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidine-2-carboxylate
CID 80709145
N-[[4-(2-imino-4-oxopentan-3-yl)phenyl]methyl]-1-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]pyrrolidine-2-carboxamide
CID 123312848
(3-methyl-1,2-oxazol-5-yl)methyl (2S)-1-(cyclopropanecarbonyl)pyrrolidine-2-carboxylate
CID 97004960

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]-N-[(2-methylpropan-2-yl)oxy]pyrrolidine-2-carboxamide;propane?
The IUPAC name of 1-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]-N-[(2-methylpropan-2-yl)oxy]pyrrolidine-2-carboxamide;propane (CID 142573256) is 1-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]-N-[(2-methylpropan-2-yl)oxy]pyrrolidine-2-carboxamide;propane.
What is the SMILES notation for 1-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]-N-[(2-methylpropan-2-yl)oxy]pyrrolidine-2-carboxamide;propane?
The canonical SMILES for 1-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]-N-[(2-methylpropan-2-yl)oxy]pyrrolidine-2-carboxamide;propane is CCC.Cc1cc(CC(=O)N2CCCC2C(=O)NOC(C)(C)C)on1.
What is the InChIKey of 1-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]-N-[(2-methylpropan-2-yl)oxy]pyrrolidine-2-carboxamide;propane?
The InChIKey is WLPSQRTVHKYVRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O4.C3H8/c1-10-8-11(21-16-10)9-13(19)18-7-5-6-12(18)14(20)17-22-15(2,3)4;1-3-2/h8,12H,5-7,9H2,1-4H3,(H,17,20);3H2,1-2H3.
What are the key properties of 1-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]-N-[(2-methylpropan-2-yl)oxy]pyrrolidine-2-carboxamide;propane?
1-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]-N-[(2-methylpropan-2-yl)oxy]pyrrolidine-2-carboxamide;propane has a molecular weight of 353.46 g/mol, XLogP of 2.78, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]-N-[(2-methylpropan-2-yl)oxy]pyrrolidine-2-carboxamide;propane is sourced from PubChem (CID 142573256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).