N-benzyl-1-[2-(5-methyl-1,2-oxazol-3-yl)acetyl]pyrrolidine-2-carboxamide

C18H21N3O3 — CID 110625854

IUPACN-benzyl-1-[2-(5-methyl-1,2-oxazol-3-yl)acetyl]pyrrolidine-2-carboxamide
SMILESCc1cc(CC(=O)N2CCCC2C(=O)NCc2ccccc2)no1
InChIInChI=1S/C18H21N3O3/c1-13-10-15(20-24-13)11-17(22)21-9-5-8-16(21)18(23)19-12-14-6-3-2-4-7-14/h2-4,6-7,10,16H,5,8-9,11-12H2,1H3,(H,19,23)
InChIKeyUJSQTIRSTLUYMJ-UHFFFAOYSA-N
MW327.38 g/mol
LogP1.83
Rot. Bonds5

About N-benzyl-1-[2-(5-methyl-1,2-oxazol-3-yl)acetyl]pyrrolidine-2-carboxamide

N-benzyl-1-[2-(5-methyl-1,2-oxazol-3-yl)acetyl]pyrrolidine-2-carboxamide (PubChem CID 110625854) has the molecular formula C18H21N3O3 and a molecular weight of 327.38 g/mol. Its IUPAC name is N-benzyl-1-[2-(5-methyl-1,2-oxazol-3-yl)acetyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-benzyl-1-[2-(5-methyl-1,2-oxazol-3-yl)acetyl]pyrrolidine-2-carboxamide
PubChem CID110625854
Molecular FormulaC18H21N3O3
Molecular Weight327.38 g/mol
Exact Mass327.16
IUPAC NameN-benzyl-1-[2-(5-methyl-1,2-oxazol-3-yl)acetyl]pyrrolidine-2-carboxamide
SMILESCc1cc(CC(=O)N2CCCC2C(=O)NCc2ccccc2)no1
InChIInChI=1S/C18H21N3O3/c1-13-10-15(20-24-13)11-17(22)21-9-5-8-16(21)18(23)19-12-14-6-3-2-4-7-14/h2-4,6-7,10,16H,5,8-9,11-12H2,1H3,(H,19,23)
InChIKeyUJSQTIRSTLUYMJ-UHFFFAOYSA-N
XLogP1.83
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[[1-(2-phenylacetyl)pyrrolidine-2-carbonyl]amino]methyl]benzoic acid
CID 119353518
(2S)-N-benzyl-1-[2-(1,3-oxazol-2-yl)acetyl]pyrrolidine-2-carboxamide
CID 165139302
N-benzyl-1-(3-methylbutanoyl)pyrrolidine-2-carboxamide
CID 170418185
N-[(3,4-dihydroxyphenyl)methyl]-1-(2-phenylacetyl)pyrrolidine-2-carboxamide
CID 136521380
(2S)-N-benzyl-1-pentanoylpyrrolidine-2-carboxamide
CID 110286101
ethyl (2S)-2-(benzylcarbamoyl)pyrrolidine-1-carboxylate
CID 110286155
(2S)-N-(5-methyl-1,2-oxazol-3-yl)-1-(5-phenylpentanoyl)pyrrolidine-2-carboxamide
CID 110304954
(2S)-1-N-benzyl-2-N-[(4-methylphenyl)methyl]pyrrolidine-1,2-dicarboxamide
CID 1468781
(2S)-N-[(4-chlorophenyl)methyl]-1-[2-(3-methylphenyl)acetyl]pyrrolidine-2-carboxamide
CID 146357876
1-(2-phenylacetyl)-N-[(3,4,5-trimethoxyphenyl)methyl]pyrrolidine-2-carboxamide
CID 47720144
N-[(6-methylimidazo[1,2-a]pyridin-2-yl)methyl]-1-(2-phenylacetyl)pyrrolidine-2-carboxamide
CID 47897775
(2S)-1-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]-N-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidine-2-carboxamide
CID 162614759

Frequently Asked Questions

What is the IUPAC name of N-benzyl-1-[2-(5-methyl-1,2-oxazol-3-yl)acetyl]pyrrolidine-2-carboxamide?
The IUPAC name of N-benzyl-1-[2-(5-methyl-1,2-oxazol-3-yl)acetyl]pyrrolidine-2-carboxamide (CID 110625854) is N-benzyl-1-[2-(5-methyl-1,2-oxazol-3-yl)acetyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for N-benzyl-1-[2-(5-methyl-1,2-oxazol-3-yl)acetyl]pyrrolidine-2-carboxamide?
The canonical SMILES for N-benzyl-1-[2-(5-methyl-1,2-oxazol-3-yl)acetyl]pyrrolidine-2-carboxamide is Cc1cc(CC(=O)N2CCCC2C(=O)NCc2ccccc2)no1.
What is the InChIKey of N-benzyl-1-[2-(5-methyl-1,2-oxazol-3-yl)acetyl]pyrrolidine-2-carboxamide?
The InChIKey is UJSQTIRSTLUYMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O3/c1-13-10-15(20-24-13)11-17(22)21-9-5-8-16(21)18(23)19-12-14-6-3-2-4-7-14/h2-4,6-7,10,16H,5,8-9,11-12H2,1H3,(H,19,23).
What are the key properties of N-benzyl-1-[2-(5-methyl-1,2-oxazol-3-yl)acetyl]pyrrolidine-2-carboxamide?
N-benzyl-1-[2-(5-methyl-1,2-oxazol-3-yl)acetyl]pyrrolidine-2-carboxamide has a molecular weight of 327.38 g/mol, XLogP of 1.83, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-1-[2-(5-methyl-1,2-oxazol-3-yl)acetyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 110625854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).