4-[[5-cyclopropyl-3-(3,5-dichloro-4-pyridinyl)-1,2-oxazol-4-yl]methoxy]cyclohexan-1-one;ethane

C20H24Cl2N2O3 — CID 145100715

IUPAC4-[[5-cyclopropyl-3-(3,5-dichloro-4-pyridinyl)-1,2-oxazol-4-yl]methoxy]cyclohexan-1-one;ethane
SMILESCC.O=C1CCC(OCc2c(-c3c(Cl)cncc3Cl)noc2C2CC2)CC1
InChIInChI=1S/C18H18Cl2N2O3.C2H6/c19-14-7-21-8-15(20)16(14)17-13(18(25-22-17)10-1-2-10)9-24-12-5-3-11(23)4-6-12;1-2/h7-8,10,12H,1-6,9H2;1-2H3
InChIKeyFXDCGFLJMKXJSX-UHFFFAOYSA-N
MW411.33 g/mol
LogP5.98
Rot. Bonds5

About 4-[[5-cyclopropyl-3-(3,5-dichloro-4-pyridinyl)-1,2-oxazol-4-yl]methoxy]cyclohexan-1-one;ethane

4-[[5-cyclopropyl-3-(3,5-dichloro-4-pyridinyl)-1,2-oxazol-4-yl]methoxy]cyclohexan-1-one;ethane (PubChem CID 145100715) has the molecular formula C20H24Cl2N2O3 and a molecular weight of 411.33 g/mol. Its IUPAC name is 4-[[5-cyclopropyl-3-(3,5-dichloro-4-pyridinyl)-1,2-oxazol-4-yl]methoxy]cyclohexan-1-one;ethane.

Molecular Properties

Compound Name4-[[5-cyclopropyl-3-(3,5-dichloro-4-pyridinyl)-1,2-oxazol-4-yl]methoxy]cyclohexan-1-one;ethane
PubChem CID145100715
Molecular FormulaC20H24Cl2N2O3
Molecular Weight411.33 g/mol
Exact Mass410.12
IUPAC Name4-[[5-cyclopropyl-3-(3,5-dichloro-4-pyridinyl)-1,2-oxazol-4-yl]methoxy]cyclohexan-1-one;ethane
SMILESCC.O=C1CCC(OCc2c(-c3c(Cl)cncc3Cl)noc2C2CC2)CC1
InChIInChI=1S/C18H18Cl2N2O3.C2H6/c19-14-7-21-8-15(20)16(14)17-13(18(25-22-17)10-1-2-10)9-24-12-5-3-11(23)4-6-12;1-2/h7-8,10,12H,1-6,9H2;1-2H3
InChIKeyFXDCGFLJMKXJSX-UHFFFAOYSA-N
XLogP5.98
TPSA65.22 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500411.33
LogP ≤ 55.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 4-[[5-cyclopropyl-3-(3,5-dichloro-4-pyridinyl)-1,2-oxazol-4-yl]methoxy]cyclohexan-1-one;ethane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[[5-cyclopropyl-3-(3,5-dichloro-4-pyridinyl)-1,2-oxazol-4-yl]methoxy]cyclohexan-1-one;ethane?
The IUPAC name of 4-[[5-cyclopropyl-3-(3,5-dichloro-4-pyridinyl)-1,2-oxazol-4-yl]methoxy]cyclohexan-1-one;ethane (CID 145100715) is 4-[[5-cyclopropyl-3-(3,5-dichloro-4-pyridinyl)-1,2-oxazol-4-yl]methoxy]cyclohexan-1-one;ethane.
What is the SMILES notation for 4-[[5-cyclopropyl-3-(3,5-dichloro-4-pyridinyl)-1,2-oxazol-4-yl]methoxy]cyclohexan-1-one;ethane?
The canonical SMILES for 4-[[5-cyclopropyl-3-(3,5-dichloro-4-pyridinyl)-1,2-oxazol-4-yl]methoxy]cyclohexan-1-one;ethane is CC.O=C1CCC(OCc2c(-c3c(Cl)cncc3Cl)noc2C2CC2)CC1.
What is the InChIKey of 4-[[5-cyclopropyl-3-(3,5-dichloro-4-pyridinyl)-1,2-oxazol-4-yl]methoxy]cyclohexan-1-one;ethane?
The InChIKey is FXDCGFLJMKXJSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18Cl2N2O3.C2H6/c19-14-7-21-8-15(20)16(14)17-13(18(25-22-17)10-1-2-10)9-24-12-5-3-11(23)4-6-12;1-2/h7-8,10,12H,1-6,9H2;1-2H3.
What are the key properties of 4-[[5-cyclopropyl-3-(3,5-dichloro-4-pyridinyl)-1,2-oxazol-4-yl]methoxy]cyclohexan-1-one;ethane?
4-[[5-cyclopropyl-3-(3,5-dichloro-4-pyridinyl)-1,2-oxazol-4-yl]methoxy]cyclohexan-1-one;ethane has a molecular weight of 411.33 g/mol, XLogP of 5.98, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[5-cyclopropyl-3-(3,5-dichloro-4-pyridinyl)-1,2-oxazol-4-yl]methoxy]cyclohexan-1-one;ethane is sourced from PubChem (CID 145100715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).