N-[(2,4-dimethylphenyl)methyl]-1-[3-(3-methyl-1,2-oxazol-5-yl)propanoyl]pyrrolidine-2-carboxamide

C21H27N3O3 — CID 146358308

IUPACN-[(2,4-dimethylphenyl)methyl]-1-[3-(3-methyl-1,2-oxazol-5-yl)propanoyl]pyrrolidine-2-carboxamide
SMILESCc1ccc(CNC(=O)C2CCCN2C(=O)CCc2cc(C)no2)c(C)c1
InChIInChI=1S/C21H27N3O3/c1-14-6-7-17(15(2)11-14)13-22-21(26)19-5-4-10-24(19)20(25)9-8-18-12-16(3)23-27-18/h6-7,11-12,19H,4-5,8-10,13H2,1-3H3,(H,22,26)
InChIKeyOAGVFYSDFIATEM-UHFFFAOYSA-N
MW369.47 g/mol
LogP2.84
Rot. Bonds6

About N-[(2,4-dimethylphenyl)methyl]-1-[3-(3-methyl-1,2-oxazol-5-yl)propanoyl]pyrrolidine-2-carboxamide

N-[(2,4-dimethylphenyl)methyl]-1-[3-(3-methyl-1,2-oxazol-5-yl)propanoyl]pyrrolidine-2-carboxamide (PubChem CID 146358308) has the molecular formula C21H27N3O3 and a molecular weight of 369.47 g/mol. Its IUPAC name is N-[(2,4-dimethylphenyl)methyl]-1-[3-(3-methyl-1,2-oxazol-5-yl)propanoyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-[(2,4-dimethylphenyl)methyl]-1-[3-(3-methyl-1,2-oxazol-5-yl)propanoyl]pyrrolidine-2-carboxamide
PubChem CID146358308
Molecular FormulaC21H27N3O3
Molecular Weight369.47 g/mol
Exact Mass369.21
IUPAC NameN-[(2,4-dimethylphenyl)methyl]-1-[3-(3-methyl-1,2-oxazol-5-yl)propanoyl]pyrrolidine-2-carboxamide
SMILESCc1ccc(CNC(=O)C2CCCN2C(=O)CCc2cc(C)no2)c(C)c1
InChIInChI=1S/C21H27N3O3/c1-14-6-7-17(15(2)11-14)13-22-21(26)19-5-4-10-24(19)20(25)9-8-18-12-16(3)23-27-18/h6-7,11-12,19H,4-5,8-10,13H2,1-3H3,(H,22,26)
InChIKeyOAGVFYSDFIATEM-UHFFFAOYSA-N
XLogP2.84
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.47
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2,4-dimethylphenyl)methyl]-1-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]pyrrolidine-2-carboxamide
CID 146358006
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
N-methyl-1-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]pyrrolidine-2-carboxamide
CID 123930502
N-cyclopropyl-1-[3-(2,4-dimethylphenyl)propanoyl]pyrrolidine-2-carboxamide
CID 86924438
(2S)-1-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]-N-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidine-2-carboxamide
CID 162614759
(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
1-[(2S)-2-acetylpyrrolidin-1-yl]-2-(3-methyl-1,2-oxazol-5-yl)ethanone
CID 163976262
1-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]-N-[(2-methylpropan-2-yl)oxy]pyrrolidine-2-carboxamide;propane
CID 142573256
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
(2S)-1-(2,4-dimethylbenzoyl)-N-(furan-2-ylmethyl)pyrrolidine-2-carboxamide
CID 95292121
[(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
N-methyl-1-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]-N-[(4-methylphenyl)methyl]pyrrolidine-2-carboxamide
CID 146357842

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dimethylphenyl)methyl]-1-[3-(3-methyl-1,2-oxazol-5-yl)propanoyl]pyrrolidine-2-carboxamide?
The IUPAC name of N-[(2,4-dimethylphenyl)methyl]-1-[3-(3-methyl-1,2-oxazol-5-yl)propanoyl]pyrrolidine-2-carboxamide (CID 146358308) is N-[(2,4-dimethylphenyl)methyl]-1-[3-(3-methyl-1,2-oxazol-5-yl)propanoyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for N-[(2,4-dimethylphenyl)methyl]-1-[3-(3-methyl-1,2-oxazol-5-yl)propanoyl]pyrrolidine-2-carboxamide?
The canonical SMILES for N-[(2,4-dimethylphenyl)methyl]-1-[3-(3-methyl-1,2-oxazol-5-yl)propanoyl]pyrrolidine-2-carboxamide is Cc1ccc(CNC(=O)C2CCCN2C(=O)CCc2cc(C)no2)c(C)c1.
What is the InChIKey of N-[(2,4-dimethylphenyl)methyl]-1-[3-(3-methyl-1,2-oxazol-5-yl)propanoyl]pyrrolidine-2-carboxamide?
The InChIKey is OAGVFYSDFIATEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O3/c1-14-6-7-17(15(2)11-14)13-22-21(26)19-5-4-10-24(19)20(25)9-8-18-12-16(3)23-27-18/h6-7,11-12,19H,4-5,8-10,13H2,1-3H3,(H,22,26).
What are the key properties of N-[(2,4-dimethylphenyl)methyl]-1-[3-(3-methyl-1,2-oxazol-5-yl)propanoyl]pyrrolidine-2-carboxamide?
N-[(2,4-dimethylphenyl)methyl]-1-[3-(3-methyl-1,2-oxazol-5-yl)propanoyl]pyrrolidine-2-carboxamide has a molecular weight of 369.47 g/mol, XLogP of 2.84, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-dimethylphenyl)methyl]-1-[3-(3-methyl-1,2-oxazol-5-yl)propanoyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 146358308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).