2-[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]-8,11-dioxadispiro[3.2.47.24]tridecan-2-ol

C23H25Cl2NO4 — CID 138601165

IUPAC2-[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]-8,11-dioxadispiro[3.2.47.24]tridecan-2-ol
SMILESOC1(c2c(-c3c(Cl)cccc3Cl)noc2C2CC2)CC2(CCC3(CC2)OCCO3)C1
InChIInChI=1S/C23H25Cl2NO4/c24-15-2-1-3-16(25)17(15)19-18(20(30-26-19)14-4-5-14)22(27)12-21(13-22)6-8-23(9-7-21)28-10-11-29-23/h1-3,14,27H,4-13H2
InChIKeyWUDZTFZJKINDMA-UHFFFAOYSA-N
MW450.36 g/mol
LogP5.81
Rot. Bonds3

About 2-[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]-8,11-dioxadispiro[3.2.47.24]tridecan-2-ol

2-[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]-8,11-dioxadispiro[3.2.47.24]tridecan-2-ol (PubChem CID 138601165) has the molecular formula C23H25Cl2NO4 and a molecular weight of 450.36 g/mol. Its IUPAC name is 2-[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]-8,11-dioxadispiro[3.2.47.24]tridecan-2-ol.

Molecular Properties

Compound Name2-[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]-8,11-dioxadispiro[3.2.47.24]tridecan-2-ol
PubChem CID138601165
Molecular FormulaC23H25Cl2NO4
Molecular Weight450.36 g/mol
Exact Mass449.12
IUPAC Name2-[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]-8,11-dioxadispiro[3.2.47.24]tridecan-2-ol
SMILESOC1(c2c(-c3c(Cl)cccc3Cl)noc2C2CC2)CC2(CCC3(CC2)OCCO3)C1
InChIInChI=1S/C23H25Cl2NO4/c24-15-2-1-3-16(25)17(15)19-18(20(30-26-19)14-4-5-14)22(27)12-21(13-22)6-8-23(9-7-21)28-10-11-29-23/h1-3,14,27H,4-13H2
InChIKeyWUDZTFZJKINDMA-UHFFFAOYSA-N
XLogP5.81
TPSA64.72 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.36
LogP ≤ 55.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[5-cyclopropyl-3-(2,6-dimethylphenyl)-1,2-oxazol-4-yl]-8,11-dioxadispiro[3.2.47.24]tridecan-2-ol
CID 167172494
4-[2-[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]-2-hydroxyspiro[3.5]nonan-7-yl]oxybenzoic acid
CID 138592004
2-[2-[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]-2-hydroxyspiro[3.5]nonan-7-yl]oxybenzoic acid
CID 175951155
5-cyclopropyl-3-(2,6-dichlorophenyl)-4-ethenyl-1,2-oxazole
CID 138592228
5-cyclopropyl-3-(2,6-dichlorophenyl)-4-(2-methoxy-2-azabicyclo[2.2.1]heptan-1-yl)-1,2-oxazole
CID 134284971
1-[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]propan-2-ol
CID 155401373
5-cyclopropyl-3-(2,6-dichlorophenyl)-4-(spiro[1,3-dioxolane-2,8'-bicyclo[3.2.1]octane]-3'-yloxymethyl)-1,2-oxazole
CID 155297915
3-[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]spiro[3.5]non-2-en-7-one
CID 175951151
5-cyclopropyl-3-(2,6-dichlorophenyl)-4-(7-pyrimidin-2-yl-7-azaspiro[3.5]non-2-en-2-yl)-1,2-oxazole
CID 175830182
3-[2-chloro-6-(difluoromethoxy)phenyl]-5-cyclopropyl-1,2-oxazole-4-carbonyl chloride
CID 134284467
3-(2-chloro-6-fluorophenyl)-5-cyclopropyl-1,2-oxazole-4-carbaldehyde
CID 164823176
3-[[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]methoxy]-8-methylbicyclo[3.2.1]octan-8-ol
CID 155297996

Frequently Asked Questions

What is the IUPAC name of 2-[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]-8,11-dioxadispiro[3.2.47.24]tridecan-2-ol?
The IUPAC name of 2-[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]-8,11-dioxadispiro[3.2.47.24]tridecan-2-ol (CID 138601165) is 2-[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]-8,11-dioxadispiro[3.2.47.24]tridecan-2-ol.
What is the SMILES notation for 2-[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]-8,11-dioxadispiro[3.2.47.24]tridecan-2-ol?
The canonical SMILES for 2-[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]-8,11-dioxadispiro[3.2.47.24]tridecan-2-ol is OC1(c2c(-c3c(Cl)cccc3Cl)noc2C2CC2)CC2(CCC3(CC2)OCCO3)C1.
What is the InChIKey of 2-[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]-8,11-dioxadispiro[3.2.47.24]tridecan-2-ol?
The InChIKey is WUDZTFZJKINDMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25Cl2NO4/c24-15-2-1-3-16(25)17(15)19-18(20(30-26-19)14-4-5-14)22(27)12-21(13-22)6-8-23(9-7-21)28-10-11-29-23/h1-3,14,27H,4-13H2.
What are the key properties of 2-[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]-8,11-dioxadispiro[3.2.47.24]tridecan-2-ol?
2-[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]-8,11-dioxadispiro[3.2.47.24]tridecan-2-ol has a molecular weight of 450.36 g/mol, XLogP of 5.81, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]-8,11-dioxadispiro[3.2.47.24]tridecan-2-ol is sourced from PubChem (CID 138601165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).