2-[1-(3-fluorophenyl)pyrrol-3-yl]-3-[(3-methylphenyl)methyl]-1,3-oxazolidine

C21H21FN2O — CID 132651767

IUPAC2-[1-(3-fluorophenyl)pyrrol-3-yl]-3-[(3-methylphenyl)methyl]-1,3-oxazolidine
SMILESCc1cccc(CN2CCOC2c2ccn(-c3cccc(F)c3)c2)c1
InChIInChI=1S/C21H21FN2O/c1-16-4-2-5-17(12-16)14-24-10-11-25-21(24)18-8-9-23(15-18)20-7-3-6-19(22)13-20/h2-9,12-13,15,21H,10-11,14H2,1H3
InChIKeyZKDXNWSIZZHYPD-UHFFFAOYSA-N
MW336.41 g/mol
LogP4.46
Rot. Bonds4

About 2-[1-(3-fluorophenyl)pyrrol-3-yl]-3-[(3-methylphenyl)methyl]-1,3-oxazolidine

2-[1-(3-fluorophenyl)pyrrol-3-yl]-3-[(3-methylphenyl)methyl]-1,3-oxazolidine (PubChem CID 132651767) has the molecular formula C21H21FN2O and a molecular weight of 336.41 g/mol. Its IUPAC name is 2-[1-(3-fluorophenyl)pyrrol-3-yl]-3-[(3-methylphenyl)methyl]-1,3-oxazolidine.

Molecular Properties

Compound Name2-[1-(3-fluorophenyl)pyrrol-3-yl]-3-[(3-methylphenyl)methyl]-1,3-oxazolidine
PubChem CID132651767
Molecular FormulaC21H21FN2O
Molecular Weight336.41 g/mol
Exact Mass336.16
IUPAC Name2-[1-(3-fluorophenyl)pyrrol-3-yl]-3-[(3-methylphenyl)methyl]-1,3-oxazolidine
SMILESCc1cccc(CN2CCOC2c2ccn(-c3cccc(F)c3)c2)c1
InChIInChI=1S/C21H21FN2O/c1-16-4-2-5-17(12-16)14-24-10-11-25-21(24)18-8-9-23(15-18)20-7-3-6-19(22)13-20/h2-9,12-13,15,21H,10-11,14H2,1H3
InChIKeyZKDXNWSIZZHYPD-UHFFFAOYSA-N
XLogP4.46
TPSA17.40 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.41
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-[1-(4-bromophenyl)pyrrol-3-yl]-3-[(3-methylphenyl)methyl]-1,3-oxazolidine
CID 99965807
(2R)-2-[1-(4-methoxyphenyl)pyrrol-3-yl]-3-[(3-methylphenyl)methyl]-1,3-oxazolidine
CID 99965812
(2S)-2-[1-(3-fluorophenyl)pyrrol-3-yl]-3-(furan-2-ylmethyl)-1,3-oxazolidine
CID 99965954
2-[1-(3-chlorophenyl)pyrrol-3-yl]-3-[(4-methylphenyl)methyl]-1,3-oxazolidine
CID 132653276
2-[1-[(4-fluorophenyl)methyl]triazol-4-yl]-3-[(3-methylphenyl)methyl]-1,3-oxazolidine
CID 132653143
(2R)-2-[1-[(4-fluorophenyl)methyl]triazol-4-yl]-3-[(3-methylphenyl)methyl]-1,3-oxazolidine
CID 99966676
(2S)-3-[(3-methylphenyl)methyl]-2-[1-[(3-methylphenyl)methyl]triazol-4-yl]-1,3-oxazolidine
CID 99966663
3-benzyl-2-[1-(2-fluorophenyl)pyrrol-3-yl]-1,3-oxazolidine
CID 132650877
(2S)-3-benzyl-2-[1-(2-fluorophenyl)pyrrol-3-yl]-1,3-oxazolidine
CID 99965690
2-[1-(4-fluorophenyl)pyrrol-3-yl]-3-(furan-2-ylmethyl)-1,3-oxazolidine
CID 132650491
2-[1-[(4-chlorophenyl)methyl]triazol-4-yl]-3-[(3-methylphenyl)methyl]-1,3-oxazolidine
CID 132655336
2-[1-[(3-bromophenyl)methyl]triazol-4-yl]-3-[(3-methylphenyl)methyl]-1,3-oxazolidine
CID 132664377

Frequently Asked Questions

What is the IUPAC name of 2-[1-(3-fluorophenyl)pyrrol-3-yl]-3-[(3-methylphenyl)methyl]-1,3-oxazolidine?
The IUPAC name of 2-[1-(3-fluorophenyl)pyrrol-3-yl]-3-[(3-methylphenyl)methyl]-1,3-oxazolidine (CID 132651767) is 2-[1-(3-fluorophenyl)pyrrol-3-yl]-3-[(3-methylphenyl)methyl]-1,3-oxazolidine.
What is the SMILES notation for 2-[1-(3-fluorophenyl)pyrrol-3-yl]-3-[(3-methylphenyl)methyl]-1,3-oxazolidine?
The canonical SMILES for 2-[1-(3-fluorophenyl)pyrrol-3-yl]-3-[(3-methylphenyl)methyl]-1,3-oxazolidine is Cc1cccc(CN2CCOC2c2ccn(-c3cccc(F)c3)c2)c1.
What is the InChIKey of 2-[1-(3-fluorophenyl)pyrrol-3-yl]-3-[(3-methylphenyl)methyl]-1,3-oxazolidine?
The InChIKey is ZKDXNWSIZZHYPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21FN2O/c1-16-4-2-5-17(12-16)14-24-10-11-25-21(24)18-8-9-23(15-18)20-7-3-6-19(22)13-20/h2-9,12-13,15,21H,10-11,14H2,1H3.
What are the key properties of 2-[1-(3-fluorophenyl)pyrrol-3-yl]-3-[(3-methylphenyl)methyl]-1,3-oxazolidine?
2-[1-(3-fluorophenyl)pyrrol-3-yl]-3-[(3-methylphenyl)methyl]-1,3-oxazolidine has a molecular weight of 336.41 g/mol, XLogP of 4.46, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3-fluorophenyl)pyrrol-3-yl]-3-[(3-methylphenyl)methyl]-1,3-oxazolidine is sourced from PubChem (CID 132651767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).