(2R)-2-[1-(4-chlorophenyl)pyrrol-3-yl]-3-(4-methoxyphenyl)-1,3-oxazolidine

C20H19ClN2O2 — CID 99965492

IUPAC(2R)-2-[1-(4-chlorophenyl)pyrrol-3-yl]-3-(4-methoxyphenyl)-1,3-oxazolidine
SMILESCOc1ccc(N2CCO[C@@H]2c2ccn(-c3ccc(Cl)cc3)c2)cc1
InChIInChI=1S/C20H19ClN2O2/c1-24-19-8-6-18(7-9-19)23-12-13-25-20(23)15-10-11-22(14-15)17-4-2-16(21)3-5-17/h2-11,14,20H,12-13H2,1H3/t20-/m1/s1
InChIKeyXZTRKRYWNYEORT-HXUWFJFHSA-N
MW354.84 g/mol
LogP4.67
Rot. Bonds4

About (2R)-2-[1-(4-chlorophenyl)pyrrol-3-yl]-3-(4-methoxyphenyl)-1,3-oxazolidine

(2R)-2-[1-(4-chlorophenyl)pyrrol-3-yl]-3-(4-methoxyphenyl)-1,3-oxazolidine (PubChem CID 99965492) has the molecular formula C20H19ClN2O2 and a molecular weight of 354.84 g/mol. Its IUPAC name is (2R)-2-[1-(4-chlorophenyl)pyrrol-3-yl]-3-(4-methoxyphenyl)-1,3-oxazolidine.

Molecular Properties

Compound Name(2R)-2-[1-(4-chlorophenyl)pyrrol-3-yl]-3-(4-methoxyphenyl)-1,3-oxazolidine
PubChem CID99965492
Molecular FormulaC20H19ClN2O2
Molecular Weight354.84 g/mol
Exact Mass354.11
IUPAC Name(2R)-2-[1-(4-chlorophenyl)pyrrol-3-yl]-3-(4-methoxyphenyl)-1,3-oxazolidine
SMILESCOc1ccc(N2CCO[C@@H]2c2ccn(-c3ccc(Cl)cc3)c2)cc1
InChIInChI=1S/C20H19ClN2O2/c1-24-19-8-6-18(7-9-19)23-12-13-25-20(23)15-10-11-22(14-15)17-4-2-16(21)3-5-17/h2-11,14,20H,12-13H2,1H3/t20-/m1/s1
InChIKeyXZTRKRYWNYEORT-HXUWFJFHSA-N
XLogP4.67
TPSA26.63 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.84
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

(2S)-3-(4-fluorophenyl)-2-[1-(4-methoxyphenyl)pyrrol-3-yl]-1,3-oxazolidine
CID 99965648
2-[1-(4-bromophenyl)pyrrol-3-yl]-3-(4-methoxyphenyl)-1,3-oxazolidine
CID 132661060
(2R)-3-(3-methoxyphenyl)-2-[1-(4-methoxyphenyl)pyrrol-3-yl]-1,3-oxazolidine
CID 99965435
(2S)-3-(4-methoxyphenyl)-2-[1-(2-methylphenyl)pyrrol-3-yl]-1,3-oxazolidine
CID 99965476
(2R)-3-(3-methoxyphenyl)-2-[1-(3-methoxyphenyl)pyrrol-3-yl]-1,3-oxazolidine
CID 99965416
(2S)-3-(3-methoxyphenyl)-2-[1-(3-methoxyphenyl)pyrrol-3-yl]-1,3-oxazolidine
CID 99965415
2-[1-(4-fluorophenyl)pyrrol-3-yl]-3-(3-methoxyphenyl)-1,3-oxazolidine
CID 132651849
(2S)-3-(4-methoxyphenyl)-2-[1-[2-(trifluoromethyl)phenyl]pyrrol-3-yl]-1,3-oxazolidine
CID 99965538
(2S)-2-[1-(4-bromophenyl)pyrrol-3-yl]-3-(4-methylphenyl)-1,3-oxazolidine
CID 99965257
(2R)-3-(4-fluorophenyl)-2-(1-phenylpyrrol-3-yl)-1,3-oxazolidine
CID 99965617
3-(4-fluorophenyl)-2-[1-(2-methoxyphenyl)pyrrol-3-yl]-1,3-oxazolidine
CID 132651851
(2R)-2-[1-(4-methoxyphenyl)pyrrol-3-yl]-3-[(3-methylphenyl)methyl]-1,3-oxazolidine
CID 99965812

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[1-(4-chlorophenyl)pyrrol-3-yl]-3-(4-methoxyphenyl)-1,3-oxazolidine?
The IUPAC name of (2R)-2-[1-(4-chlorophenyl)pyrrol-3-yl]-3-(4-methoxyphenyl)-1,3-oxazolidine (CID 99965492) is (2R)-2-[1-(4-chlorophenyl)pyrrol-3-yl]-3-(4-methoxyphenyl)-1,3-oxazolidine.
What is the SMILES notation for (2R)-2-[1-(4-chlorophenyl)pyrrol-3-yl]-3-(4-methoxyphenyl)-1,3-oxazolidine?
The canonical SMILES for (2R)-2-[1-(4-chlorophenyl)pyrrol-3-yl]-3-(4-methoxyphenyl)-1,3-oxazolidine is COc1ccc(N2CCO[C@@H]2c2ccn(-c3ccc(Cl)cc3)c2)cc1.
What is the InChIKey of (2R)-2-[1-(4-chlorophenyl)pyrrol-3-yl]-3-(4-methoxyphenyl)-1,3-oxazolidine?
The InChIKey is XZTRKRYWNYEORT-HXUWFJFHSA-N. The full InChI is InChI=1S/C20H19ClN2O2/c1-24-19-8-6-18(7-9-19)23-12-13-25-20(23)15-10-11-22(14-15)17-4-2-16(21)3-5-17/h2-11,14,20H,12-13H2,1H3/t20-/m1/s1.
What are the key properties of (2R)-2-[1-(4-chlorophenyl)pyrrol-3-yl]-3-(4-methoxyphenyl)-1,3-oxazolidine?
(2R)-2-[1-(4-chlorophenyl)pyrrol-3-yl]-3-(4-methoxyphenyl)-1,3-oxazolidine has a molecular weight of 354.84 g/mol, XLogP of 4.67, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[1-(4-chlorophenyl)pyrrol-3-yl]-3-(4-methoxyphenyl)-1,3-oxazolidine is sourced from PubChem (CID 99965492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).