N-[(3R)-1-[(3-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]-3,5-dimethyl-1,2-oxazole-4-carboxamide

C17H18FN3O3 — CID 26395765

IUPACN-[(3R)-1-[(3-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
SMILESCc1noc(C)c1C(=O)N[C@@H]1CC(=O)N(Cc2cccc(F)c2)C1
InChIInChI=1S/C17H18FN3O3/c1-10-16(11(2)24-20-10)17(23)19-14-7-15(22)21(9-14)8-12-4-3-5-13(18)6-12/h3-6,14H,7-9H2,1-2H3,(H,19,23)/t14-/m1/s1
InChIKeyXXGDJCXDOOHUQB-CQSZACIVSA-N
MW331.35 g/mol
LogP1.96
Rot. Bonds4

About N-[(3R)-1-[(3-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]-3,5-dimethyl-1,2-oxazole-4-carboxamide

N-[(3R)-1-[(3-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]-3,5-dimethyl-1,2-oxazole-4-carboxamide (PubChem CID 26395765) has the molecular formula C17H18FN3O3 and a molecular weight of 331.35 g/mol. Its IUPAC name is N-[(3R)-1-[(3-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]-3,5-dimethyl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[(3R)-1-[(3-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
PubChem CID26395765
Molecular FormulaC17H18FN3O3
Molecular Weight331.35 g/mol
Exact Mass331.13
IUPAC NameN-[(3R)-1-[(3-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
SMILESCc1noc(C)c1C(=O)N[C@@H]1CC(=O)N(Cc2cccc(F)c2)C1
InChIInChI=1S/C17H18FN3O3/c1-10-16(11(2)24-20-10)17(23)19-14-7-15(22)21(9-14)8-12-4-3-5-13(18)6-12/h3-6,14H,7-9H2,1-2H3,(H,19,23)/t14-/m1/s1
InChIKeyXXGDJCXDOOHUQB-CQSZACIVSA-N
XLogP1.96
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.35
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3S)-1-[(3-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]-4-(methoxymethyl)-5-methyl-1,2-oxazole-3-carboxamide
CID 95707736
3,5-dimethyl-N-[1-(naphthalen-1-ylmethyl)-5-oxopyrrolidin-3-yl]-1,2-oxazole-4-carboxamide
CID 56904815
N-[(3R)-1-[(3-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]-2-methylpyrazole-3-carboxamide
CID 42526825
N-[1-[(3-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]pyridine-2-carboxamide
CID 45207199
N-[(3R)-1-[(3-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]-2-oxobutanamide
CID 95729706
N-[(3R)-1-[(3-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]pyridine-3-carboxamide
CID 26401895
N-[1-[(3-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]pyridine-3-carboxamide
CID 45248913
N-[(3S)-1-[(3-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]thiophene-2-carboxamide
CID 42094331
2-(dimethylamino)-N-[1-[(3-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]acetamide
CID 45217130
N-[(3R)-1-[(3-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]-2-methoxyacetamide
CID 42303049
N-[(3S)-1-[(3-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]-2-(3,4,5-trimethylpyrazol-1-yl)acetamide
CID 95726169
N-[(3S)-1-[(4-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]-5-methyl-1,2-oxazole-3-carboxamide
CID 42123595

Frequently Asked Questions

What is the IUPAC name of N-[(3R)-1-[(3-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]-3,5-dimethyl-1,2-oxazole-4-carboxamide?
The IUPAC name of N-[(3R)-1-[(3-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]-3,5-dimethyl-1,2-oxazole-4-carboxamide (CID 26395765) is N-[(3R)-1-[(3-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]-3,5-dimethyl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for N-[(3R)-1-[(3-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]-3,5-dimethyl-1,2-oxazole-4-carboxamide?
The canonical SMILES for N-[(3R)-1-[(3-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]-3,5-dimethyl-1,2-oxazole-4-carboxamide is Cc1noc(C)c1C(=O)N[C@@H]1CC(=O)N(Cc2cccc(F)c2)C1.
What is the InChIKey of N-[(3R)-1-[(3-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]-3,5-dimethyl-1,2-oxazole-4-carboxamide?
The InChIKey is XXGDJCXDOOHUQB-CQSZACIVSA-N. The full InChI is InChI=1S/C17H18FN3O3/c1-10-16(11(2)24-20-10)17(23)19-14-7-15(22)21(9-14)8-12-4-3-5-13(18)6-12/h3-6,14H,7-9H2,1-2H3,(H,19,23)/t14-/m1/s1.
What are the key properties of N-[(3R)-1-[(3-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]-3,5-dimethyl-1,2-oxazole-4-carboxamide?
N-[(3R)-1-[(3-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]-3,5-dimethyl-1,2-oxazole-4-carboxamide has a molecular weight of 331.35 g/mol, XLogP of 1.96, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-1-[(3-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]-3,5-dimethyl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 26395765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).