5-[5-[2,6-dichloro-4-(3,4-dihydro-2H-pyrrol-5-yl)phenoxy]pentyl]-3-methyl-1,2-oxazole

C19H22Cl2N2O2 — CID 515436

IUPAC5-[5-[2,6-dichloro-4-(3,4-dihydro-2H-pyrrol-5-yl)phenoxy]pentyl]-3-methyl-1,2-oxazole
SMILESCc1cc(CCCCCOc2c(Cl)cc(C3=NCCC3)cc2Cl)on1
InChIInChI=1S/C19H22Cl2N2O2/c1-13-10-15(25-23-13)6-3-2-4-9-24-19-16(20)11-14(12-17(19)21)18-7-5-8-22-18/h10-12H,2-9H2,1H3
InChIKeyIGSHFVLIKAUYLO-UHFFFAOYSA-N
MW381.30 g/mol
LogP5.66
Rot. Bonds8

About 5-[5-[2,6-dichloro-4-(3,4-dihydro-2H-pyrrol-5-yl)phenoxy]pentyl]-3-methyl-1,2-oxazole

5-[5-[2,6-dichloro-4-(3,4-dihydro-2H-pyrrol-5-yl)phenoxy]pentyl]-3-methyl-1,2-oxazole (PubChem CID 515436) has the molecular formula C19H22Cl2N2O2 and a molecular weight of 381.30 g/mol. Its IUPAC name is 5-[5-[2,6-dichloro-4-(3,4-dihydro-2H-pyrrol-5-yl)phenoxy]pentyl]-3-methyl-1,2-oxazole.

Molecular Properties

Compound Name5-[5-[2,6-dichloro-4-(3,4-dihydro-2H-pyrrol-5-yl)phenoxy]pentyl]-3-methyl-1,2-oxazole
PubChem CID515436
Molecular FormulaC19H22Cl2N2O2
Molecular Weight381.30 g/mol
Exact Mass380.11
IUPAC Name5-[5-[2,6-dichloro-4-(3,4-dihydro-2H-pyrrol-5-yl)phenoxy]pentyl]-3-methyl-1,2-oxazole
SMILESCc1cc(CCCCCOc2c(Cl)cc(C3=NCCC3)cc2Cl)on1
InChIInChI=1S/C19H22Cl2N2O2/c1-13-10-15(25-23-13)6-3-2-4-9-24-19-16(20)11-14(12-17(19)21)18-7-5-8-22-18/h10-12H,2-9H2,1H3
InChIKeyIGSHFVLIKAUYLO-UHFFFAOYSA-N
XLogP5.66
TPSA47.62 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.30
LogP ≤ 55.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

Disoxaril
CID 55717
Win 52035
CID 1786
5-(5-(2-Chloro-4-(4,5-dihydro-2-oxazolyl)phenoxy)pentyl)-3-methylisoxazole
CID 1788
Win 56291
CID 129539
Win 54954
CID 441048
Win 56590
CID 3082640
5-(5-(2,6-Dichloro-4-(4,5-dihydro-2-oxazolyl)phenoxy)pentyl)-3-(hydroxyethyl oxymethyleneoxymethyl) isoxazole
CID 441047
Isoxazole, 5-(7-(4-(4,5-dihydro-4-methyl-2-oxazolyl)phenoxy)heptyl)-3-methyl-
CID 1790
3-methyl-5-(7-(4-((4R)-4-methyl-4,5-dihydro-1,3-oxazol-2-yl)phenoxy)heptyl)-1,2-oxazole
CID 5272139
5-(5-(4-(5-Hydro-4-methyl-2-oxazolyl)phenoxy)pentyl)-3-methyl isoxazole
CID 5289566
3-Methyl-5-[5-[4-(4-methyl-4,5-dihydrooxazol-2-yl)phenoxy]pentyl]isoxazole
CID 1787
Dmipopmt
CID 147117

Frequently Asked Questions

What is the IUPAC name of 5-[5-[2,6-dichloro-4-(3,4-dihydro-2H-pyrrol-5-yl)phenoxy]pentyl]-3-methyl-1,2-oxazole?
The IUPAC name of 5-[5-[2,6-dichloro-4-(3,4-dihydro-2H-pyrrol-5-yl)phenoxy]pentyl]-3-methyl-1,2-oxazole (CID 515436) is 5-[5-[2,6-dichloro-4-(3,4-dihydro-2H-pyrrol-5-yl)phenoxy]pentyl]-3-methyl-1,2-oxazole.
What is the SMILES notation for 5-[5-[2,6-dichloro-4-(3,4-dihydro-2H-pyrrol-5-yl)phenoxy]pentyl]-3-methyl-1,2-oxazole?
The canonical SMILES for 5-[5-[2,6-dichloro-4-(3,4-dihydro-2H-pyrrol-5-yl)phenoxy]pentyl]-3-methyl-1,2-oxazole is Cc1cc(CCCCCOc2c(Cl)cc(C3=NCCC3)cc2Cl)on1.
What is the InChIKey of 5-[5-[2,6-dichloro-4-(3,4-dihydro-2H-pyrrol-5-yl)phenoxy]pentyl]-3-methyl-1,2-oxazole?
The InChIKey is IGSHFVLIKAUYLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22Cl2N2O2/c1-13-10-15(25-23-13)6-3-2-4-9-24-19-16(20)11-14(12-17(19)21)18-7-5-8-22-18/h10-12H,2-9H2,1H3.
What are the key properties of 5-[5-[2,6-dichloro-4-(3,4-dihydro-2H-pyrrol-5-yl)phenoxy]pentyl]-3-methyl-1,2-oxazole?
5-[5-[2,6-dichloro-4-(3,4-dihydro-2H-pyrrol-5-yl)phenoxy]pentyl]-3-methyl-1,2-oxazole has a molecular weight of 381.30 g/mol, XLogP of 5.66, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-[2,6-dichloro-4-(3,4-dihydro-2H-pyrrol-5-yl)phenoxy]pentyl]-3-methyl-1,2-oxazole is sourced from PubChem (CID 515436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).