N-[1-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]ethyl]-2,3-dihydro-1H-isoindole-5-carboxamide

C20H18FN3O2 — CID 167826059

IUPACN-[1-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]ethyl]-2,3-dihydro-1H-isoindole-5-carboxamide
SMILESCC(NC(=O)c1ccc2c(c1)CNC2)c1ncc(-c2ccc(F)cc2)o1
InChIInChI=1S/C20H18FN3O2/c1-12(20-23-11-18(26-20)13-4-6-17(21)7-5-13)24-19(25)14-2-3-15-9-22-10-16(15)8-14/h2-8,11-12,22H,9-10H2,1H3,(H,24,25)
InChIKeyFWIZSUZKACARLF-UHFFFAOYSA-N
MW351.38 g/mol
LogP3.57
Rot. Bonds4

About N-[1-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]ethyl]-2,3-dihydro-1H-isoindole-5-carboxamide

N-[1-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]ethyl]-2,3-dihydro-1H-isoindole-5-carboxamide (PubChem CID 167826059) has the molecular formula C20H18FN3O2 and a molecular weight of 351.38 g/mol. Its IUPAC name is N-[1-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]ethyl]-2,3-dihydro-1H-isoindole-5-carboxamide.

Molecular Properties

Compound NameN-[1-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]ethyl]-2,3-dihydro-1H-isoindole-5-carboxamide
PubChem CID167826059
Molecular FormulaC20H18FN3O2
Molecular Weight351.38 g/mol
Exact Mass351.14
IUPAC NameN-[1-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]ethyl]-2,3-dihydro-1H-isoindole-5-carboxamide
SMILESCC(NC(=O)c1ccc2c(c1)CNC2)c1ncc(-c2ccc(F)cc2)o1
InChIInChI=1S/C20H18FN3O2/c1-12(20-23-11-18(26-20)13-4-6-17(21)7-5-13)24-19(25)14-2-3-15-9-22-10-16(15)8-14/h2-8,11-12,22H,9-10H2,1H3,(H,24,25)
InChIKeyFWIZSUZKACARLF-UHFFFAOYSA-N
XLogP3.57
TPSA67.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.38
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]ethyl]-2,3,4,5-tetrahydro-1H-2-benzazepine-7-carboxamide
CID 166295531
N-[1-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]ethyl]cyclobutanecarboxamide
CID 110660785
ethyl N-[1-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]ethyl]carbamate
CID 110660779
N-(1-pyridin-3-ylethyl)-2,3-dihydro-1H-isoindole-5-carboxamide
CID 103997950
N-[(1S)-1-pyridin-2-ylethyl]-2,3-dihydro-1H-isoindole-5-carboxamide
CID 103999250
N-[1-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]ethyl]imidazo[1,5-a]pyridine-3-carboxamide
CID 167923624
2-(3-fluorophenoxy)-N-[1-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]ethyl]acetamide
CID 110660794
N-[(1S)-1-(4-bromophenyl)ethyl]-2,3-dihydro-1H-isoindole-5-carboxamide
CID 103999224
N-[(1R)-1-(2-chlorophenyl)ethyl]-2,3-dihydro-1H-isoindole-5-carboxamide
CID 103999236
N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2,3-dihydro-1H-isoindole-5-carboxamide
CID 103998657
N-[1-(methylamino)-1-oxopropan-2-yl]-2,3-dihydro-1H-isoindole-5-carboxamide
CID 103998735
methyl (2S)-2-(2,3-dihydro-1H-isoindole-5-carbonylamino)-3-methylbutanoate
CID 103998348

Frequently Asked Questions

What is the IUPAC name of N-[1-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]ethyl]-2,3-dihydro-1H-isoindole-5-carboxamide?
The IUPAC name of N-[1-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]ethyl]-2,3-dihydro-1H-isoindole-5-carboxamide (CID 167826059) is N-[1-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]ethyl]-2,3-dihydro-1H-isoindole-5-carboxamide.
What is the SMILES notation for N-[1-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]ethyl]-2,3-dihydro-1H-isoindole-5-carboxamide?
The canonical SMILES for N-[1-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]ethyl]-2,3-dihydro-1H-isoindole-5-carboxamide is CC(NC(=O)c1ccc2c(c1)CNC2)c1ncc(-c2ccc(F)cc2)o1.
What is the InChIKey of N-[1-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]ethyl]-2,3-dihydro-1H-isoindole-5-carboxamide?
The InChIKey is FWIZSUZKACARLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FN3O2/c1-12(20-23-11-18(26-20)13-4-6-17(21)7-5-13)24-19(25)14-2-3-15-9-22-10-16(15)8-14/h2-8,11-12,22H,9-10H2,1H3,(H,24,25).
What are the key properties of N-[1-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]ethyl]-2,3-dihydro-1H-isoindole-5-carboxamide?
N-[1-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]ethyl]-2,3-dihydro-1H-isoindole-5-carboxamide has a molecular weight of 351.38 g/mol, XLogP of 3.57, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]ethyl]-2,3-dihydro-1H-isoindole-5-carboxamide is sourced from PubChem (CID 167826059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).