3-(4-fluoro-2-methylphenyl)-5-(2-phenyl-1H-indol-3-yl)-4,5-dihydro-1,2-oxazole

C24H19FN2O — CID 10451802

IUPAC3-(4-fluoro-2-methylphenyl)-5-(2-phenyl-1H-indol-3-yl)-4,5-dihydro-1,2-oxazole
SMILESCc1cc(F)ccc1C1=NOC(c2c(-c3ccccc3)[nH]c3ccccc23)C1
InChIInChI=1S/C24H19FN2O/c1-15-13-17(25)11-12-18(15)21-14-22(28-27-21)23-19-9-5-6-10-20(19)26-24(23)16-7-3-2-4-8-16/h2-13,22,26H,14H2,1H3
InChIKeyCXGOLRKQYRWAOB-UHFFFAOYSA-N
MW370.43 g/mol
LogP6.15
Rot. Bonds3

About 3-(4-fluoro-2-methylphenyl)-5-(2-phenyl-1H-indol-3-yl)-4,5-dihydro-1,2-oxazole

3-(4-fluoro-2-methylphenyl)-5-(2-phenyl-1H-indol-3-yl)-4,5-dihydro-1,2-oxazole (PubChem CID 10451802) has the molecular formula C24H19FN2O and a molecular weight of 370.43 g/mol. Its IUPAC name is 3-(4-fluoro-2-methylphenyl)-5-(2-phenyl-1H-indol-3-yl)-4,5-dihydro-1,2-oxazole.

Molecular Properties

Compound Name3-(4-fluoro-2-methylphenyl)-5-(2-phenyl-1H-indol-3-yl)-4,5-dihydro-1,2-oxazole
PubChem CID10451802
Molecular FormulaC24H19FN2O
Molecular Weight370.43 g/mol
Exact Mass370.15
IUPAC Name3-(4-fluoro-2-methylphenyl)-5-(2-phenyl-1H-indol-3-yl)-4,5-dihydro-1,2-oxazole
SMILESCc1cc(F)ccc1C1=NOC(c2c(-c3ccccc3)[nH]c3ccccc23)C1
InChIInChI=1S/C24H19FN2O/c1-15-13-17(25)11-12-18(15)21-14-22(28-27-21)23-19-9-5-6-10-20(19)26-24(23)16-7-3-2-4-8-16/h2-13,22,26H,14H2,1H3
InChIKeyCXGOLRKQYRWAOB-UHFFFAOYSA-N
XLogP6.15
TPSA37.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.43
LogP ≤ 56.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(1,3-dioxolan-2-yl)-2-(4-fluorophenyl)-1H-indole
CID 170874045
7-fluoro-1-(2-phenyl-1H-indol-3-yl)-1,2,3,4-tetrahydroacridine
CID 71504689
5-(furan-2-yl)-3-(7-methyl-3-phenyl-1H-indol-2-yl)-4,5-dihydro-1,2-oxazole
CID 135518262
3-fluoro-2-phenyl-1H-indole
CID 141242496
2-(4-fluorophenyl)-3-phenyl-1H-quinolin-4-one
CID 19067574
6-methyl-2-(2-phenyl-1H-indol-3-yl)-2,3-dihydro-1,3-benzothiazole
CID 10759748
5-(4-fluoro-2-methylphenyl)-2-methyl-3,4-dihydro-2H-pyrrole
CID 146633762
3-(4-fluoro-3-methylphenyl)-2-phenyl-1H-indole
CID 158433984
3-[2-(4-fluorophenyl)-1H-indol-3-yl]-N-[(3-methyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]propanamide
CID 166244623
5-phenyl-3-[3-(5-phenyl-4,5-dihydro-1,2-oxazol-3-yl)phenyl]-4,5-dihydro-1,2-oxazole
CID 139240735
6-bromo-4-phenyl-3-[(5R)-5-phenyl-4,5-dihydro-1,2-oxazol-3-yl]-1H-quinolin-2-one
CID 136920119
1-(5-fluoro-2-phenyl-1H-indol-3-yl)ethanamine
CID 82023996

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluoro-2-methylphenyl)-5-(2-phenyl-1H-indol-3-yl)-4,5-dihydro-1,2-oxazole?
The IUPAC name of 3-(4-fluoro-2-methylphenyl)-5-(2-phenyl-1H-indol-3-yl)-4,5-dihydro-1,2-oxazole (CID 10451802) is 3-(4-fluoro-2-methylphenyl)-5-(2-phenyl-1H-indol-3-yl)-4,5-dihydro-1,2-oxazole.
What is the SMILES notation for 3-(4-fluoro-2-methylphenyl)-5-(2-phenyl-1H-indol-3-yl)-4,5-dihydro-1,2-oxazole?
The canonical SMILES for 3-(4-fluoro-2-methylphenyl)-5-(2-phenyl-1H-indol-3-yl)-4,5-dihydro-1,2-oxazole is Cc1cc(F)ccc1C1=NOC(c2c(-c3ccccc3)[nH]c3ccccc23)C1.
What is the InChIKey of 3-(4-fluoro-2-methylphenyl)-5-(2-phenyl-1H-indol-3-yl)-4,5-dihydro-1,2-oxazole?
The InChIKey is CXGOLRKQYRWAOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19FN2O/c1-15-13-17(25)11-12-18(15)21-14-22(28-27-21)23-19-9-5-6-10-20(19)26-24(23)16-7-3-2-4-8-16/h2-13,22,26H,14H2,1H3.
What are the key properties of 3-(4-fluoro-2-methylphenyl)-5-(2-phenyl-1H-indol-3-yl)-4,5-dihydro-1,2-oxazole?
3-(4-fluoro-2-methylphenyl)-5-(2-phenyl-1H-indol-3-yl)-4,5-dihydro-1,2-oxazole has a molecular weight of 370.43 g/mol, XLogP of 6.15, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluoro-2-methylphenyl)-5-(2-phenyl-1H-indol-3-yl)-4,5-dihydro-1,2-oxazole is sourced from PubChem (CID 10451802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).