N-[2-fluoro-5-[[6-(5-methyl-1,2-oxazol-4-yl)-1-oxoisoquinolin-2-yl]methyl]phenyl]acetamide

C22H18FN3O3 — CID 164572573

IUPACN-[2-fluoro-5-[[6-(5-methyl-1,2-oxazol-4-yl)-1-oxoisoquinolin-2-yl]methyl]phenyl]acetamide
SMILESCC(=O)Nc1cc(Cn2ccc3cc(-c4cnoc4C)ccc3c2=O)ccc1F
InChIInChI=1S/C22H18FN3O3/c1-13-19(11-24-29-13)16-4-5-18-17(10-16)7-8-26(22(18)28)12-15-3-6-20(23)21(9-15)25-14(2)27/h3-11H,12H2,1-2H3,(H,25,27)
InChIKeyGYBZIDXJTKSIPZ-UHFFFAOYSA-N
MW391.40 g/mol
LogP4.11
Rot. Bonds4

About N-[2-fluoro-5-[[6-(5-methyl-1,2-oxazol-4-yl)-1-oxoisoquinolin-2-yl]methyl]phenyl]acetamide

N-[2-fluoro-5-[[6-(5-methyl-1,2-oxazol-4-yl)-1-oxoisoquinolin-2-yl]methyl]phenyl]acetamide (PubChem CID 164572573) has the molecular formula C22H18FN3O3 and a molecular weight of 391.40 g/mol. Its IUPAC name is N-[2-fluoro-5-[[6-(5-methyl-1,2-oxazol-4-yl)-1-oxoisoquinolin-2-yl]methyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[2-fluoro-5-[[6-(5-methyl-1,2-oxazol-4-yl)-1-oxoisoquinolin-2-yl]methyl]phenyl]acetamide
PubChem CID164572573
Molecular FormulaC22H18FN3O3
Molecular Weight391.40 g/mol
Exact Mass391.13
IUPAC NameN-[2-fluoro-5-[[6-(5-methyl-1,2-oxazol-4-yl)-1-oxoisoquinolin-2-yl]methyl]phenyl]acetamide
SMILESCC(=O)Nc1cc(Cn2ccc3cc(-c4cnoc4C)ccc3c2=O)ccc1F
InChIInChI=1S/C22H18FN3O3/c1-13-19(11-24-29-13)16-4-5-18-17(10-16)7-8-26(22(18)28)12-15-3-6-20(23)21(9-15)25-14(2)27/h3-11H,12H2,1-2H3,(H,25,27)
InChIKeyGYBZIDXJTKSIPZ-UHFFFAOYSA-N
XLogP4.11
TPSA77.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.40
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-[(2-fluorophenyl)methylamino]-1H-quinolin-2-one
CID 121342342
N-[4-(diethylamino)phenyl]-5-phenyl-1,2-oxazole-4-carboxamide
CID 110650740
N-[3-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methyl-3-oxo-1H-isoindol-4-yl]phenyl]acetamide
CID 134809395
US20250368634, Example 61
CID 176888757
N-(2,4-difluorophenyl)-3-{[(isoxazol-5-ylmethyl)(methyl)amino]methyl}benzamide
CID 56708147
2,6-difluoro-N-[4-[2-methyl-5-(3-methyl-1,2-oxazol-5-yl)phenyl]phenyl]benzamide
CID 11553184
N-[3-(1,2-oxazol-5-yl)phenyl]-2-oxo-3-[1-[2-(trifluoromethyl)phenyl]cyclobutyl]propanamide
CID 16738961
N-[3-(N-methylanilino)propyl]-3-[5-[4-(trifluoromethyl)phenyl]-1,2-oxazol-4-yl]propanamide
CID 17857558
N-[2-(N-ethyl-3-methylanilino)ethyl]-3-[5-[4-(trifluoromethyl)phenyl]-1,2-oxazol-4-yl]propanamide;2,2,2-trifluoroacetic acid
CID 17857786
N-[2-(N-ethyl-3-methylanilino)ethyl]-3-[5-[4-(trifluoromethyl)phenyl]-1,2-oxazol-4-yl]propanamide
CID 17857787
N-(4-fluorophenyl)-5-phenyl-1,2-oxazole-4-carboxamide
CID 19439713
N-[4-(4,5-dihydro-[1,2]oxazolo[4,5-d][1]benzazepine-6-carbonyl)-3-methylphenyl]-3-fluoro-5-methylbenzamide
CID 21476226

Frequently Asked Questions

What is the IUPAC name of N-[2-fluoro-5-[[6-(5-methyl-1,2-oxazol-4-yl)-1-oxoisoquinolin-2-yl]methyl]phenyl]acetamide?
The IUPAC name of N-[2-fluoro-5-[[6-(5-methyl-1,2-oxazol-4-yl)-1-oxoisoquinolin-2-yl]methyl]phenyl]acetamide (CID 164572573) is N-[2-fluoro-5-[[6-(5-methyl-1,2-oxazol-4-yl)-1-oxoisoquinolin-2-yl]methyl]phenyl]acetamide.
What is the SMILES notation for N-[2-fluoro-5-[[6-(5-methyl-1,2-oxazol-4-yl)-1-oxoisoquinolin-2-yl]methyl]phenyl]acetamide?
The canonical SMILES for N-[2-fluoro-5-[[6-(5-methyl-1,2-oxazol-4-yl)-1-oxoisoquinolin-2-yl]methyl]phenyl]acetamide is CC(=O)Nc1cc(Cn2ccc3cc(-c4cnoc4C)ccc3c2=O)ccc1F.
What is the InChIKey of N-[2-fluoro-5-[[6-(5-methyl-1,2-oxazol-4-yl)-1-oxoisoquinolin-2-yl]methyl]phenyl]acetamide?
The InChIKey is GYBZIDXJTKSIPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18FN3O3/c1-13-19(11-24-29-13)16-4-5-18-17(10-16)7-8-26(22(18)28)12-15-3-6-20(23)21(9-15)25-14(2)27/h3-11H,12H2,1-2H3,(H,25,27).
What are the key properties of N-[2-fluoro-5-[[6-(5-methyl-1,2-oxazol-4-yl)-1-oxoisoquinolin-2-yl]methyl]phenyl]acetamide?
N-[2-fluoro-5-[[6-(5-methyl-1,2-oxazol-4-yl)-1-oxoisoquinolin-2-yl]methyl]phenyl]acetamide has a molecular weight of 391.40 g/mol, XLogP of 4.11, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-fluoro-5-[[6-(5-methyl-1,2-oxazol-4-yl)-1-oxoisoquinolin-2-yl]methyl]phenyl]acetamide is sourced from PubChem (CID 164572573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).