3-[2-(4-fluorophenyl)-1H-indol-3-yl]-N-[(3-methyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]propanamide

C22H22FN3O2 — CID 166244623

IUPAC3-[2-(4-fluorophenyl)-1H-indol-3-yl]-N-[(3-methyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]propanamide
SMILESCC1=NOC(CNC(=O)CCc2c(-c3ccc(F)cc3)[nH]c3ccccc23)C1
InChIInChI=1S/C22H22FN3O2/c1-14-12-17(28-26-14)13-24-21(27)11-10-19-18-4-2-3-5-20(18)25-22(19)15-6-8-16(23)9-7-15/h2-9,17,25H,10-13H2,1H3,(H,24,27)
InChIKeyOQBKDGBSLPJHPD-UHFFFAOYSA-N
MW379.44 g/mol
LogP4.19
Rot. Bonds6

About 3-[2-(4-fluorophenyl)-1H-indol-3-yl]-N-[(3-methyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]propanamide

3-[2-(4-fluorophenyl)-1H-indol-3-yl]-N-[(3-methyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]propanamide (PubChem CID 166244623) has the molecular formula C22H22FN3O2 and a molecular weight of 379.44 g/mol. Its IUPAC name is 3-[2-(4-fluorophenyl)-1H-indol-3-yl]-N-[(3-methyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]propanamide.

Molecular Properties

Compound Name3-[2-(4-fluorophenyl)-1H-indol-3-yl]-N-[(3-methyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]propanamide
PubChem CID166244623
Molecular FormulaC22H22FN3O2
Molecular Weight379.44 g/mol
Exact Mass379.17
IUPAC Name3-[2-(4-fluorophenyl)-1H-indol-3-yl]-N-[(3-methyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]propanamide
SMILESCC1=NOC(CNC(=O)CCc2c(-c3ccc(F)cc3)[nH]c3ccccc23)C1
InChIInChI=1S/C22H22FN3O2/c1-14-12-17(28-26-14)13-24-21(27)11-10-19-18-4-2-3-5-20(18)25-22(19)15-6-8-16(23)9-7-15/h2-9,17,25H,10-13H2,1H3,(H,24,27)
InChIKeyOQBKDGBSLPJHPD-UHFFFAOYSA-N
XLogP4.19
TPSA66.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.44
LogP ≤ 54.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[2-(4-fluorophenyl)-1H-indol-3-yl]-N-propan-2-ylpropanamide
CID 51229084
N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-3-[2-(4-fluorophenyl)-1H-indol-3-yl]propanamide
CID 166191305
3-[2-(4-fluorophenyl)-1H-indol-3-yl]-N-[(2-methoxyphenyl)methyl]propanamide
CID 9083531
N-(1,3-benzodioxol-5-ylmethyl)-3-[2-(4-fluorophenyl)-1H-indol-3-yl]propanamide
CID 8869378
3-[2-(4-fluorophenyl)-1H-indol-3-yl]-N-pyridin-2-ylpropanamide
CID 56809441
N-butan-2-yl-3-[2-(4-fluorophenyl)-1H-indol-3-yl]propanamide
CID 55412331
N-(2,5-dimethylfuran-3-yl)sulfonyl-3-[2-(4-fluorophenyl)-1H-indol-3-yl]propanamide
CID 166201074
3-[2-(4-fluorophenyl)-1H-indol-3-yl]-N-[2-(furan-2-yl)-2-hydroxypropyl]propanamide
CID 166229727
3-[2-(4-fluorophenyl)-1H-indol-3-yl]-N-(1H-pyrazol-5-yl)propanamide
CID 47835724
3-[5-fluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-N-[2-(methylamino)-2-oxoethyl]propanamide
CID 17392425
2-fluoro-N-[(3-methyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]benzamide
CID 53017144
2-fluoro-N-[[(5R)-3-methyl-4,5-dihydro-1,2-oxazol-5-yl]methyl]benzamide
CID 95052044

Frequently Asked Questions

What is the IUPAC name of 3-[2-(4-fluorophenyl)-1H-indol-3-yl]-N-[(3-methyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]propanamide?
The IUPAC name of 3-[2-(4-fluorophenyl)-1H-indol-3-yl]-N-[(3-methyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]propanamide (CID 166244623) is 3-[2-(4-fluorophenyl)-1H-indol-3-yl]-N-[(3-methyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]propanamide.
What is the SMILES notation for 3-[2-(4-fluorophenyl)-1H-indol-3-yl]-N-[(3-methyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]propanamide?
The canonical SMILES for 3-[2-(4-fluorophenyl)-1H-indol-3-yl]-N-[(3-methyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]propanamide is CC1=NOC(CNC(=O)CCc2c(-c3ccc(F)cc3)[nH]c3ccccc23)C1.
What is the InChIKey of 3-[2-(4-fluorophenyl)-1H-indol-3-yl]-N-[(3-methyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]propanamide?
The InChIKey is OQBKDGBSLPJHPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22FN3O2/c1-14-12-17(28-26-14)13-24-21(27)11-10-19-18-4-2-3-5-20(18)25-22(19)15-6-8-16(23)9-7-15/h2-9,17,25H,10-13H2,1H3,(H,24,27).
What are the key properties of 3-[2-(4-fluorophenyl)-1H-indol-3-yl]-N-[(3-methyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]propanamide?
3-[2-(4-fluorophenyl)-1H-indol-3-yl]-N-[(3-methyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]propanamide has a molecular weight of 379.44 g/mol, XLogP of 4.19, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(4-fluorophenyl)-1H-indol-3-yl]-N-[(3-methyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]propanamide is sourced from PubChem (CID 166244623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).