N-[(3-cyclopropyl-2-oxo-1,3-oxazolidin-5-yl)methyl]-3-(4-fluoro-3-methylphenyl)-4-methylpentanamide

C20H27FN2O3 — CID 110354909

IUPACN-[(3-cyclopropyl-2-oxo-1,3-oxazolidin-5-yl)methyl]-3-(4-fluoro-3-methylphenyl)-4-methylpentanamide
SMILESCc1cc(C(CC(=O)NCC2CN(C3CC3)C(=O)O2)C(C)C)ccc1F
InChIInChI=1S/C20H27FN2O3/c1-12(2)17(14-4-7-18(21)13(3)8-14)9-19(24)22-10-16-11-23(15-5-6-15)20(25)26-16/h4,7-8,12,15-17H,5-6,9-11H2,1-3H3,(H,22,24)
InChIKeyVTBTZQOCWIFYCH-UHFFFAOYSA-N
MW362.45 g/mol
LogP3.36
Rot. Bonds7

About N-[(3-cyclopropyl-2-oxo-1,3-oxazolidin-5-yl)methyl]-3-(4-fluoro-3-methylphenyl)-4-methylpentanamide

N-[(3-cyclopropyl-2-oxo-1,3-oxazolidin-5-yl)methyl]-3-(4-fluoro-3-methylphenyl)-4-methylpentanamide (PubChem CID 110354909) has the molecular formula C20H27FN2O3 and a molecular weight of 362.45 g/mol. Its IUPAC name is N-[(3-cyclopropyl-2-oxo-1,3-oxazolidin-5-yl)methyl]-3-(4-fluoro-3-methylphenyl)-4-methylpentanamide.

Molecular Properties

Compound NameN-[(3-cyclopropyl-2-oxo-1,3-oxazolidin-5-yl)methyl]-3-(4-fluoro-3-methylphenyl)-4-methylpentanamide
PubChem CID110354909
Molecular FormulaC20H27FN2O3
Molecular Weight362.45 g/mol
Exact Mass362.20
IUPAC NameN-[(3-cyclopropyl-2-oxo-1,3-oxazolidin-5-yl)methyl]-3-(4-fluoro-3-methylphenyl)-4-methylpentanamide
SMILESCc1cc(C(CC(=O)NCC2CN(C3CC3)C(=O)O2)C(C)C)ccc1F
InChIInChI=1S/C20H27FN2O3/c1-12(2)17(14-4-7-18(21)13(3)8-14)9-19(24)22-10-16-11-23(15-5-6-15)20(25)26-16/h4,7-8,12,15-17H,5-6,9-11H2,1-3H3,(H,22,24)
InChIKeyVTBTZQOCWIFYCH-UHFFFAOYSA-N
XLogP3.36
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.45
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(4-fluorophenyl)ethyl]-N-(1-methoxypropan-2-yl)-5-oxopyrrolidine-3-carboxamide
CID 6497430
3-(4-fluorophenyl)-2,2-dimethyl-N-(3-morpholin-4-ylpropyl)cyclopropane-1-carboxamide
CID 145969076
Ethyl 4-(1-(4-fluorophenyl)cyclopropanecarboxamido)piperidine-1-carboxylate
CID 45504923
N-[[1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]-1-(3-methylphenyl)cyclopropane-1-carboxamide
CID 53548302
3-(2,5-difluorophenyl)-N-[[1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]propanamide
CID 53548344
N-cyclopropyl-1-(3,3-dimethylbutanoyl)-4-(4-fluorophenyl)pyrrolidine-3-carboxamide
CID 71956170
4-tert-butyl-3-[(3R)-3-[3-(trifluoromethyl)phenyl]butanoyl]-1,3-oxazolidin-2-one
CID 134961124
3-[2-(4-fluorobenzyl)-5-oxo-2-pyrrolidinyl]-N-(2-methoxyethyl)propanamide
CID 45174728
1-[2-(4-Fluorophenyl)ethyl]-5-{2-[(2-methoxyethyl)amino]ethyl}-2-pyrrolidinone
CID 45191997
3-(2-oxo-1,3-oxazolidin-3-yl)-N-[2-[2-(trifluoromethyl)phenyl]cyclopropyl]propanamide
CID 53600432
3-(4-fluorophenyl)-N-[1-(2-methoxyethyl)pyrrolidin-3-yl]propanamide
CID 56783504
1-[(2,6-Difluoro-3-methylphenyl)methyl]-5-[2-(2-methoxyethylamino)ethyl]pyrrolidin-2-one
CID 56853368

Frequently Asked Questions

What is the IUPAC name of N-[(3-cyclopropyl-2-oxo-1,3-oxazolidin-5-yl)methyl]-3-(4-fluoro-3-methylphenyl)-4-methylpentanamide?
The IUPAC name of N-[(3-cyclopropyl-2-oxo-1,3-oxazolidin-5-yl)methyl]-3-(4-fluoro-3-methylphenyl)-4-methylpentanamide (CID 110354909) is N-[(3-cyclopropyl-2-oxo-1,3-oxazolidin-5-yl)methyl]-3-(4-fluoro-3-methylphenyl)-4-methylpentanamide.
What is the SMILES notation for N-[(3-cyclopropyl-2-oxo-1,3-oxazolidin-5-yl)methyl]-3-(4-fluoro-3-methylphenyl)-4-methylpentanamide?
The canonical SMILES for N-[(3-cyclopropyl-2-oxo-1,3-oxazolidin-5-yl)methyl]-3-(4-fluoro-3-methylphenyl)-4-methylpentanamide is Cc1cc(C(CC(=O)NCC2CN(C3CC3)C(=O)O2)C(C)C)ccc1F.
What is the InChIKey of N-[(3-cyclopropyl-2-oxo-1,3-oxazolidin-5-yl)methyl]-3-(4-fluoro-3-methylphenyl)-4-methylpentanamide?
The InChIKey is VTBTZQOCWIFYCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27FN2O3/c1-12(2)17(14-4-7-18(21)13(3)8-14)9-19(24)22-10-16-11-23(15-5-6-15)20(25)26-16/h4,7-8,12,15-17H,5-6,9-11H2,1-3H3,(H,22,24).
What are the key properties of N-[(3-cyclopropyl-2-oxo-1,3-oxazolidin-5-yl)methyl]-3-(4-fluoro-3-methylphenyl)-4-methylpentanamide?
N-[(3-cyclopropyl-2-oxo-1,3-oxazolidin-5-yl)methyl]-3-(4-fluoro-3-methylphenyl)-4-methylpentanamide has a molecular weight of 362.45 g/mol, XLogP of 3.36, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-cyclopropyl-2-oxo-1,3-oxazolidin-5-yl)methyl]-3-(4-fluoro-3-methylphenyl)-4-methylpentanamide is sourced from PubChem (CID 110354909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).