2-[1-[(4-fluorophenyl)methyl]pyrrol-2-yl]-4-phenyl-4,5-dihydro-1,3-oxazole

C20H17FN2O — CID 6621798

IUPAC2-[1-[(4-fluorophenyl)methyl]pyrrol-2-yl]-4-phenyl-4,5-dihydro-1,3-oxazole
SMILESFc1ccc(Cn2cccc2C2=NC(c3ccccc3)CO2)cc1
InChIInChI=1S/C20H17FN2O/c21-17-10-8-15(9-11-17)13-23-12-4-7-19(23)20-22-18(14-24-20)16-5-2-1-3-6-16/h1-12,18H,13-14H2
InChIKeyIYGJCRAQCRBRQO-UHFFFAOYSA-N
MW320.37 g/mol
LogP4.19
Rot. Bonds4

About 2-[1-[(4-fluorophenyl)methyl]pyrrol-2-yl]-4-phenyl-4,5-dihydro-1,3-oxazole

2-[1-[(4-fluorophenyl)methyl]pyrrol-2-yl]-4-phenyl-4,5-dihydro-1,3-oxazole (PubChem CID 6621798) has the molecular formula C20H17FN2O and a molecular weight of 320.37 g/mol. Its IUPAC name is 2-[1-[(4-fluorophenyl)methyl]pyrrol-2-yl]-4-phenyl-4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name2-[1-[(4-fluorophenyl)methyl]pyrrol-2-yl]-4-phenyl-4,5-dihydro-1,3-oxazole
PubChem CID6621798
Molecular FormulaC20H17FN2O
Molecular Weight320.37 g/mol
Exact Mass320.13
IUPAC Name2-[1-[(4-fluorophenyl)methyl]pyrrol-2-yl]-4-phenyl-4,5-dihydro-1,3-oxazole
SMILESFc1ccc(Cn2cccc2C2=NC(c3ccccc3)CO2)cc1
InChIInChI=1S/C20H17FN2O/c21-17-10-8-15(9-11-17)13-23-12-4-7-19(23)20-22-18(14-24-20)16-5-2-1-3-6-16/h1-12,18H,13-14H2
InChIKeyIYGJCRAQCRBRQO-UHFFFAOYSA-N
XLogP4.19
TPSA26.52 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.37
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Doxylamine
CID 3162
1-ethyl-3-(4-isobutyl-4,5-dihydro-1,3-oxazol-2-yl)-1H-indole
CID 3545527
N-(2-ethylphenyl)-2-[2-(4-phenyl-4,5-dihydro-1,3-oxazol-2-yl)-1H-pyrrol-1-yl]acetamide
CID 6619408
(R,R)-2,6-Bis(4-phenyl-2-oxazolin-2-yl)pyridine
CID 2734679
2,6-Bis(4-phenyl-4,5-dihydro-1,3-oxazol-2-yl)pyridine
CID 3921300
(S,S)-2,6-Bis(4-phenyl-2-oxazolin-2-yl)pyridine
CID 7010100
2,6-Bis[(4S)-benzyl-2-oxazolin-2-yl]pyridine
CID 12177006
2F-Viminol
CID 57419227
2-[1-(4-chlorobenzyl)-1H-pyrrol-2-yl]-4,5-dihydro-1,3-oxazole
CID 3237840
(5-Phenyl-2-pyridin-2-yl-4,5-dihydro-1,3-oxazol-4-yl)methanol
CID 3241242
N-methyl-N-phenyl-2-[2-(4-phenyl-4,5-dihydro-1,3-oxazol-2-yl)-1H-pyrrol-1-yl]acetamide
CID 6619248
1-(1-Methyl-1H-pyrrol-2-yl)-2-phenyl-2-piperidin-1-yl-ethanol
CID 11231451

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(4-fluorophenyl)methyl]pyrrol-2-yl]-4-phenyl-4,5-dihydro-1,3-oxazole?
The IUPAC name of 2-[1-[(4-fluorophenyl)methyl]pyrrol-2-yl]-4-phenyl-4,5-dihydro-1,3-oxazole (CID 6621798) is 2-[1-[(4-fluorophenyl)methyl]pyrrol-2-yl]-4-phenyl-4,5-dihydro-1,3-oxazole.
What is the SMILES notation for 2-[1-[(4-fluorophenyl)methyl]pyrrol-2-yl]-4-phenyl-4,5-dihydro-1,3-oxazole?
The canonical SMILES for 2-[1-[(4-fluorophenyl)methyl]pyrrol-2-yl]-4-phenyl-4,5-dihydro-1,3-oxazole is Fc1ccc(Cn2cccc2C2=NC(c3ccccc3)CO2)cc1.
What is the InChIKey of 2-[1-[(4-fluorophenyl)methyl]pyrrol-2-yl]-4-phenyl-4,5-dihydro-1,3-oxazole?
The InChIKey is IYGJCRAQCRBRQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17FN2O/c21-17-10-8-15(9-11-17)13-23-12-4-7-19(23)20-22-18(14-24-20)16-5-2-1-3-6-16/h1-12,18H,13-14H2.
What are the key properties of 2-[1-[(4-fluorophenyl)methyl]pyrrol-2-yl]-4-phenyl-4,5-dihydro-1,3-oxazole?
2-[1-[(4-fluorophenyl)methyl]pyrrol-2-yl]-4-phenyl-4,5-dihydro-1,3-oxazole has a molecular weight of 320.37 g/mol, XLogP of 4.19, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(4-fluorophenyl)methyl]pyrrol-2-yl]-4-phenyl-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 6621798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).