2-chloro-4-(4-chlorophenyl)-5-[3-(4-methylphenoxy)propyl]-1,3-oxazole

C19H17Cl2NO2 — CID 11111224

IUPAC2-chloro-4-(4-chlorophenyl)-5-[3-(4-methylphenoxy)propyl]-1,3-oxazole
SMILESCc1ccc(OCCCc2oc(Cl)nc2-c2ccc(Cl)cc2)cc1
InChIInChI=1S/C19H17Cl2NO2/c1-13-4-10-16(11-5-13)23-12-2-3-17-18(22-19(21)24-17)14-6-8-15(20)9-7-14/h4-11H,2-3,12H2,1H3
InChIKeyCYGPAXLMHBFYTA-UHFFFAOYSA-N
MW362.26 g/mol
LogP5.97
Rot. Bonds6

About 2-chloro-4-(4-chlorophenyl)-5-[3-(4-methylphenoxy)propyl]-1,3-oxazole

2-chloro-4-(4-chlorophenyl)-5-[3-(4-methylphenoxy)propyl]-1,3-oxazole (PubChem CID 11111224) has the molecular formula C19H17Cl2NO2 and a molecular weight of 362.26 g/mol. Its IUPAC name is 2-chloro-4-(4-chlorophenyl)-5-[3-(4-methylphenoxy)propyl]-1,3-oxazole.

Molecular Properties

Compound Name2-chloro-4-(4-chlorophenyl)-5-[3-(4-methylphenoxy)propyl]-1,3-oxazole
PubChem CID11111224
Molecular FormulaC19H17Cl2NO2
Molecular Weight362.26 g/mol
Exact Mass361.06
IUPAC Name2-chloro-4-(4-chlorophenyl)-5-[3-(4-methylphenoxy)propyl]-1,3-oxazole
SMILESCc1ccc(OCCCc2oc(Cl)nc2-c2ccc(Cl)cc2)cc1
InChIInChI=1S/C19H17Cl2NO2/c1-13-4-10-16(11-5-13)23-12-2-3-17-18(22-19(21)24-17)14-6-8-15(20)9-7-14/h4-11H,2-3,12H2,1H3
InChIKeyCYGPAXLMHBFYTA-UHFFFAOYSA-N
XLogP5.97
TPSA35.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.26
LogP ≤ 55.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-4-(4-chlorophenyl)-5-[6-(2-methylphenoxy)hexyl]-1,3-oxazole
CID 10938322
2-chloro-4-(4-chlorophenyl)-5-[3-(2-methylsulfanylphenoxy)propyl]-1,3-oxazole
CID 11003753
ethyl 5-[2-chloro-4-(4-chlorophenyl)-1,3-oxazol-5-yl]pentanoate
CID 11099941
4-(4-chlorophenyl)-2-(2-methylimidazol-1-yl)-5-(3-phenoxypropyl)-1,3-oxazole
CID 11731968
2-chloro-5-ethyl-4-(4-methoxyphenyl)-1,3-oxazole
CID 105499752
4-(4-chlorophenyl)-2-(2-methyl-1H-imidazol-5-yl)-5-[3-(3,4,5-trimethylphenoxy)propyl]-1,3-oxazole
CID 91583402
4-(4-chlorophenyl)-2-(2-methylimidazol-1-yl)-5-[3-(2,4,6-trimethylphenoxy)propyl]-1,3-oxazole
CID 18174698
ethyl (2E)-4-[(3aS,7aR)-1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl]-2-[[4-[3-[4-(4-chlorophenyl)-2-methyl-1,3-oxazol-5-yl]propoxy]phenyl]methylidene]-4-oxobutanoate
CID 139845724
5-[3-(4-chloro-2-methoxyphenoxy)propyl]-4-(4-chlorophenyl)-2-(2-methyl-1H-imidazol-5-yl)-1,3-oxazole
CID 91465133
4-(4-chlorophenyl)-5-[3-(2-methylphenoxy)propyl]-2-(2-phenylimidazol-1-yl)-1,3-oxazole
CID 18174764
2-[4-(4-butoxyphenyl)-1,3-thiazol-2-yl]-4-(4-chlorophenyl)-5-methyl-1,3-thiazole
CID 46339240
2-(4-chlorophenoxy)ethyl 4-methylbenzoate
CID 126608900

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(4-chlorophenyl)-5-[3-(4-methylphenoxy)propyl]-1,3-oxazole?
The IUPAC name of 2-chloro-4-(4-chlorophenyl)-5-[3-(4-methylphenoxy)propyl]-1,3-oxazole (CID 11111224) is 2-chloro-4-(4-chlorophenyl)-5-[3-(4-methylphenoxy)propyl]-1,3-oxazole.
What is the SMILES notation for 2-chloro-4-(4-chlorophenyl)-5-[3-(4-methylphenoxy)propyl]-1,3-oxazole?
The canonical SMILES for 2-chloro-4-(4-chlorophenyl)-5-[3-(4-methylphenoxy)propyl]-1,3-oxazole is Cc1ccc(OCCCc2oc(Cl)nc2-c2ccc(Cl)cc2)cc1.
What is the InChIKey of 2-chloro-4-(4-chlorophenyl)-5-[3-(4-methylphenoxy)propyl]-1,3-oxazole?
The InChIKey is CYGPAXLMHBFYTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17Cl2NO2/c1-13-4-10-16(11-5-13)23-12-2-3-17-18(22-19(21)24-17)14-6-8-15(20)9-7-14/h4-11H,2-3,12H2,1H3.
What are the key properties of 2-chloro-4-(4-chlorophenyl)-5-[3-(4-methylphenoxy)propyl]-1,3-oxazole?
2-chloro-4-(4-chlorophenyl)-5-[3-(4-methylphenoxy)propyl]-1,3-oxazole has a molecular weight of 362.26 g/mol, XLogP of 5.97, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(4-chlorophenyl)-5-[3-(4-methylphenoxy)propyl]-1,3-oxazole is sourced from PubChem (CID 11111224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).