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

C18H20ClN3O3 — CID 45226916

IUPACN-[1-[(2-chlorophenyl)methyl]-5-oxopyrrolidin-3-yl]-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide
SMILESCCc1noc(C)c1C(=O)NC1CC(=O)N(Cc2ccccc2Cl)C1
InChIInChI=1S/C18H20ClN3O3/c1-3-15-17(11(2)25-21-15)18(24)20-13-8-16(23)22(10-13)9-12-6-4-5-7-14(12)19/h4-7,13H,3,8-10H2,1-2H3,(H,20,24)
InChIKeyPFAMZGQNKROVHL-UHFFFAOYSA-N
MW361.83 g/mol
LogP2.73
Rot. Bonds5

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

N-[1-[(2-chlorophenyl)methyl]-5-oxopyrrolidin-3-yl]-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide (PubChem CID 45226916) has the molecular formula C18H20ClN3O3 and a molecular weight of 361.83 g/mol. Its IUPAC name is N-[1-[(2-chlorophenyl)methyl]-5-oxopyrrolidin-3-yl]-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[1-[(2-chlorophenyl)methyl]-5-oxopyrrolidin-3-yl]-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide
PubChem CID45226916
Molecular FormulaC18H20ClN3O3
Molecular Weight361.83 g/mol
Exact Mass361.12
IUPAC NameN-[1-[(2-chlorophenyl)methyl]-5-oxopyrrolidin-3-yl]-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide
SMILESCCc1noc(C)c1C(=O)NC1CC(=O)N(Cc2ccccc2Cl)C1
InChIInChI=1S/C18H20ClN3O3/c1-3-15-17(11(2)25-21-15)18(24)20-13-8-16(23)22(10-13)9-12-6-4-5-7-14(12)19/h4-7,13H,3,8-10H2,1-2H3,(H,20,24)
InChIKeyPFAMZGQNKROVHL-UHFFFAOYSA-N
XLogP2.73
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.83
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3,5-dimethyl-N-[1-(naphthalen-1-ylmethyl)-5-oxopyrrolidin-3-yl]-1,2-oxazole-4-carboxamide
CID 56904815
N-[1-(cyclohexylmethyl)-5-oxopyrrolidin-3-yl]-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide
CID 45215715
N-[(3S)-1-[(2-chlorophenyl)methyl]-5-oxopyrrolidin-3-yl]-1,3-thiazole-4-carboxamide
CID 26333932
N-[(3R)-1-[(2-chlorophenyl)methyl]-5-oxopyrrolidin-3-yl]-1,3-thiazole-4-carboxamide
CID 26333935
N-[(3S)-1-[(2-chlorophenyl)methyl]-5-oxopyrrolidin-3-yl]but-3-enamide
CID 42395266
N-[1-[(2-chlorophenyl)methyl]-5-oxopyrrolidin-3-yl]thiophene-3-carboxamide
CID 45187441
N-[1-[(2-chlorophenyl)methyl]-5-oxopyrrolidin-3-yl]-1-benzofuran-2-carboxamide
CID 45177959
N-[(3R)-1-[(2-chlorophenyl)methyl]-5-oxopyrrolidin-3-yl]quinoline-3-carboxamide
CID 95709758
N-[(3R)-1-[(2-chlorophenyl)methyl]-5-oxopyrrolidin-3-yl]-2-(methylamino)pyridine-4-carboxamide
CID 28785782
N-[1-[(2-chlorophenyl)methyl]-5-oxopyrrolidin-3-yl]-1-propan-2-ylpyrazole-4-carboxamide
CID 45238063
N-[(3S)-1-[(2-chlorophenyl)methyl]-5-oxopyrrolidin-3-yl]-2-(4-methoxyphenyl)acetamide
CID 42394735
N-[(3R)-1-[(3-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 26395765

Frequently Asked Questions

What is the IUPAC name of N-[1-[(2-chlorophenyl)methyl]-5-oxopyrrolidin-3-yl]-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide?
The IUPAC name of N-[1-[(2-chlorophenyl)methyl]-5-oxopyrrolidin-3-yl]-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide (CID 45226916) is N-[1-[(2-chlorophenyl)methyl]-5-oxopyrrolidin-3-yl]-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for N-[1-[(2-chlorophenyl)methyl]-5-oxopyrrolidin-3-yl]-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide?
The canonical SMILES for N-[1-[(2-chlorophenyl)methyl]-5-oxopyrrolidin-3-yl]-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide is CCc1noc(C)c1C(=O)NC1CC(=O)N(Cc2ccccc2Cl)C1.
What is the InChIKey of N-[1-[(2-chlorophenyl)methyl]-5-oxopyrrolidin-3-yl]-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide?
The InChIKey is PFAMZGQNKROVHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClN3O3/c1-3-15-17(11(2)25-21-15)18(24)20-13-8-16(23)22(10-13)9-12-6-4-5-7-14(12)19/h4-7,13H,3,8-10H2,1-2H3,(H,20,24).
What are the key properties of N-[1-[(2-chlorophenyl)methyl]-5-oxopyrrolidin-3-yl]-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide?
N-[1-[(2-chlorophenyl)methyl]-5-oxopyrrolidin-3-yl]-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide has a molecular weight of 361.83 g/mol, XLogP of 2.73, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(2-chlorophenyl)methyl]-5-oxopyrrolidin-3-yl]-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 45226916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).