N-[2-(4-chlorophenyl)ethyl]-1-(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)pyrrolidine-3-carboxamide

C20H24ClN3O3 — CID 110246506

IUPACN-[2-(4-chlorophenyl)ethyl]-1-(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)pyrrolidine-3-carboxamide
SMILESCCc1noc(C)c1C(=O)N1CCC(C(=O)NCCc2ccc(Cl)cc2)C1
InChIInChI=1S/C20H24ClN3O3/c1-3-17-18(13(2)27-23-17)20(26)24-11-9-15(12-24)19(25)22-10-8-14-4-6-16(21)7-5-14/h4-7,15H,3,8-12H2,1-2H3,(H,22,25)
InChIKeyDOPQMVDTGDIVCS-UHFFFAOYSA-N
MW389.88 g/mol
LogP3.02
Rot. Bonds6

About N-[2-(4-chlorophenyl)ethyl]-1-(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)pyrrolidine-3-carboxamide

N-[2-(4-chlorophenyl)ethyl]-1-(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)pyrrolidine-3-carboxamide (PubChem CID 110246506) has the molecular formula C20H24ClN3O3 and a molecular weight of 389.88 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)ethyl]-1-(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(4-chlorophenyl)ethyl]-1-(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)pyrrolidine-3-carboxamide
PubChem CID110246506
Molecular FormulaC20H24ClN3O3
Molecular Weight389.88 g/mol
Exact Mass389.15
IUPAC NameN-[2-(4-chlorophenyl)ethyl]-1-(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)pyrrolidine-3-carboxamide
SMILESCCc1noc(C)c1C(=O)N1CCC(C(=O)NCCc2ccc(Cl)cc2)C1
InChIInChI=1S/C20H24ClN3O3/c1-3-17-18(13(2)27-23-17)20(26)24-11-9-15(12-24)19(25)22-10-8-14-4-6-16(21)7-5-14/h4-7,15H,3,8-12H2,1-2H3,(H,22,25)
InChIKeyDOPQMVDTGDIVCS-UHFFFAOYSA-N
XLogP3.02
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.88
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(4-chlorophenyl)ethyl]-1-(4-methylthiadiazole-5-carbonyl)pyrrolidine-3-carboxamide
CID 110246546
1-acetyl-N-[2-(4-chlorophenyl)ethyl]pyrrolidine-3-carboxamide;3-methyl-1,2,4-oxadiazole
CID 178170559
N-[2-(4-chlorophenyl)ethyl]-1-methylpyrrolidine-3-carboxamide
CID 110853463
1-butanoyl-N-[2-(4-chlorophenyl)ethyl]piperidine-4-carboxamide
CID 113005002
(3-ethyl-5-methyl-1,2-oxazol-4-yl)-[3-(methylamino)pyrrolidin-1-yl]methanone;hydrochloride
CID 75513671
1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-N-(2-piperidin-1-ylethyl)pyrrolidine-3-carboxamide
CID 110246518
N-[2-(4-chlorophenyl)ethyl]-1-[2-(3-methyl-6-oxopyridazin-1-yl)acetyl]pyrrolidine-3-carboxamide
CID 110246471
N-[2-(4-chlorophenyl)ethyl]-1-(3,4-dimethylbenzoyl)piperidine-4-carboxamide
CID 113005012
(3-ethyl-5-methyl-1,2-oxazol-4-yl)-[3-(2-hydroxyethyl)pyrrolidin-1-yl]methanone
CID 115775260
[1-(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)piperidin-4-yl]-phenylmethanone
CID 33363652
(3S)-3-N-[2-(4-chlorophenyl)ethyl]piperidine-1,3-dicarboxamide
CID 9081950
(3R)-3-N-[2-(4-chlorophenyl)ethyl]piperidine-1,3-dicarboxamide
CID 9081948

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenyl)ethyl]-1-(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)pyrrolidine-3-carboxamide?
The IUPAC name of N-[2-(4-chlorophenyl)ethyl]-1-(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)pyrrolidine-3-carboxamide (CID 110246506) is N-[2-(4-chlorophenyl)ethyl]-1-(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for N-[2-(4-chlorophenyl)ethyl]-1-(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)pyrrolidine-3-carboxamide?
The canonical SMILES for N-[2-(4-chlorophenyl)ethyl]-1-(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)pyrrolidine-3-carboxamide is CCc1noc(C)c1C(=O)N1CCC(C(=O)NCCc2ccc(Cl)cc2)C1.
What is the InChIKey of N-[2-(4-chlorophenyl)ethyl]-1-(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)pyrrolidine-3-carboxamide?
The InChIKey is DOPQMVDTGDIVCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24ClN3O3/c1-3-17-18(13(2)27-23-17)20(26)24-11-9-15(12-24)19(25)22-10-8-14-4-6-16(21)7-5-14/h4-7,15H,3,8-12H2,1-2H3,(H,22,25).
What are the key properties of N-[2-(4-chlorophenyl)ethyl]-1-(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)pyrrolidine-3-carboxamide?
N-[2-(4-chlorophenyl)ethyl]-1-(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)pyrrolidine-3-carboxamide has a molecular weight of 389.88 g/mol, XLogP of 3.02, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenyl)ethyl]-1-(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 110246506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).