2-[1-cyclohexyl-3-(2-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]-N-methyl-N-(1,2-oxazol-3-ylmethyl)acetamide

C23H26FN3O4 — CID 126462518

IUPAC2-[1-cyclohexyl-3-(2-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]-N-methyl-N-(1,2-oxazol-3-ylmethyl)acetamide
SMILESCN(Cc1ccon1)C(=O)CC1(c2ccccc2F)CC(=O)N(C2CCCCC2)C1=O
InChIInChI=1S/C23H26FN3O4/c1-26(15-16-11-12-31-25-16)20(28)13-23(18-9-5-6-10-19(18)24)14-21(29)27(22(23)30)17-7-3-2-4-8-17/h5-6,9-12,17H,2-4,7-8,13-15H2,1H3
InChIKeyWBKOYSZQLZDMPP-UHFFFAOYSA-N
MW427.48 g/mol
LogP3.19
Rot. Bonds6

About 2-[1-cyclohexyl-3-(2-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]-N-methyl-N-(1,2-oxazol-3-ylmethyl)acetamide

2-[1-cyclohexyl-3-(2-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]-N-methyl-N-(1,2-oxazol-3-ylmethyl)acetamide (PubChem CID 126462518) has the molecular formula C23H26FN3O4 and a molecular weight of 427.48 g/mol. Its IUPAC name is 2-[1-cyclohexyl-3-(2-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]-N-methyl-N-(1,2-oxazol-3-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[1-cyclohexyl-3-(2-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]-N-methyl-N-(1,2-oxazol-3-ylmethyl)acetamide
PubChem CID126462518
Molecular FormulaC23H26FN3O4
Molecular Weight427.48 g/mol
Exact Mass427.19
IUPAC Name2-[1-cyclohexyl-3-(2-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]-N-methyl-N-(1,2-oxazol-3-ylmethyl)acetamide
SMILESCN(Cc1ccon1)C(=O)CC1(c2ccccc2F)CC(=O)N(C2CCCCC2)C1=O
InChIInChI=1S/C23H26FN3O4/c1-26(15-16-11-12-31-25-16)20(28)13-23(18-9-5-6-10-19(18)24)14-21(29)27(22(23)30)17-7-3-2-4-8-17/h5-6,9-12,17H,2-4,7-8,13-15H2,1H3
InChIKeyWBKOYSZQLZDMPP-UHFFFAOYSA-N
XLogP3.19
TPSA83.72 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.48
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

Ethyl 4-(3-fluorobenzyl)-1-(isoxazol-3-ylmethyl)piperidine-4-carboxylate
CID 16190078
N-[(5S,8S,11S,16R)-8-[(4-fluorophenyl)methyl]-5-formyl-2,7,10,14-tetraoxo-1,6,9,13-tetrazabicyclo[14.3.0]nonadecan-11-yl]-5-methyl-1,2-oxazole-3-carboxamide
CID 145964819
N-[(2S,5S,14S)-2-[(4-fluorophenyl)methyl]-5-formyl-9-methyl-3,8,15-trioxo-1,4,9-triazacyclopentadec-14-yl]-5-methyl-1,2-oxazole-3-carboxamide
CID 145967146
N-[(7S,10S,13S)-10-[(4-fluorophenyl)methyl]-7-formyl-3-methyl-4,9,12-trioxo-3,8,11-triazabicyclo[12.3.1]octadeca-1(18),14,16-trien-13-yl]-5-methyl-1,2-oxazole-3-carboxamide
CID 145967471
N-[(6S,9S,12S)-9-[(4-fluorophenyl)methyl]-12-formyl-1-methyl-3,7,10,15-tetraoxo-1,4,8,11-tetrazacyclopentadec-6-yl]-5-methyl-1,2-oxazole-3-carboxamide
CID 145972639
N-[(5S,8S,11S,15R)-8-[(4-fluorophenyl)methyl]-5-formyl-2,7,10,14-tetraoxo-1,6,9,13-tetrazabicyclo[13.3.0]octadecan-11-yl]-5-methyl-1,2-oxazole-3-carboxamide
CID 145976447
N-[(5S,8S,11S,17S)-8-[(4-fluorophenyl)methyl]-5-formyl-2,7,10,16-tetraoxo-1,6,9,15-tetrazabicyclo[15.2.1]icosan-11-yl]-5-methyl-1,2-oxazole-3-carboxamide
CID 145976494
N-[(7S,10S,13S)-10-[(4-fluorophenyl)methyl]-7-formyl-4,9,12-trioxo-3,8,11-triazabicyclo[12.3.1]octadeca-1(18),14,16-trien-13-yl]-5-methyl-1,2-oxazole-3-carboxamide
CID 145976933
N-(((5R,8S)-3-(2,6-difluorophenyl)-9,9-dimethyl-5,6,7,8-tetrahydro-5,8-methanocinnolin-8-yl)methyl)-N-ethyl-4-methylisoxazole-3-carboxamide
CID 134337559
(2S,4R)-4-fluoro-1-[2-(1,2-oxazol-3-yl)acetyl]-N-[(S)-phenyl-(4-propan-2-ylphenyl)methyl]pyrrolidine-2-carboxamide
CID 165138950
3-[2-(2-Methylphenyl)pyrrolidine-1-carbonyl]-5-propyl-1,2-oxazole
CID 46266435
(4-Tert-butylphenyl)[1-(3-isoxazolylmethyl)-3-piperidinyl]methanone
CID 16190529

Frequently Asked Questions

What is the IUPAC name of 2-[1-cyclohexyl-3-(2-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]-N-methyl-N-(1,2-oxazol-3-ylmethyl)acetamide?
The IUPAC name of 2-[1-cyclohexyl-3-(2-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]-N-methyl-N-(1,2-oxazol-3-ylmethyl)acetamide (CID 126462518) is 2-[1-cyclohexyl-3-(2-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]-N-methyl-N-(1,2-oxazol-3-ylmethyl)acetamide.
What is the SMILES notation for 2-[1-cyclohexyl-3-(2-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]-N-methyl-N-(1,2-oxazol-3-ylmethyl)acetamide?
The canonical SMILES for 2-[1-cyclohexyl-3-(2-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]-N-methyl-N-(1,2-oxazol-3-ylmethyl)acetamide is CN(Cc1ccon1)C(=O)CC1(c2ccccc2F)CC(=O)N(C2CCCCC2)C1=O.
What is the InChIKey of 2-[1-cyclohexyl-3-(2-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]-N-methyl-N-(1,2-oxazol-3-ylmethyl)acetamide?
The InChIKey is WBKOYSZQLZDMPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26FN3O4/c1-26(15-16-11-12-31-25-16)20(28)13-23(18-9-5-6-10-19(18)24)14-21(29)27(22(23)30)17-7-3-2-4-8-17/h5-6,9-12,17H,2-4,7-8,13-15H2,1H3.
What are the key properties of 2-[1-cyclohexyl-3-(2-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]-N-methyl-N-(1,2-oxazol-3-ylmethyl)acetamide?
2-[1-cyclohexyl-3-(2-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]-N-methyl-N-(1,2-oxazol-3-ylmethyl)acetamide has a molecular weight of 427.48 g/mol, XLogP of 3.19, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-cyclohexyl-3-(2-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]-N-methyl-N-(1,2-oxazol-3-ylmethyl)acetamide is sourced from PubChem (CID 126462518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).