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

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Launch Full Analysis

Related Compounds

6-[[5-cyclopropyl-3-(3,5-dichloro-4-pyridinyl)-1,2-oxazol-4-yl]methoxy]hexan-1-ol
CID 138602342
5-cyclopropyl-3-(3,5-dichloro-4-pyridinyl)-4-[(4-ethenyl-1-bicyclo[2.2.2]octanyl)oxymethyl]-1,2-oxazole
CID 138584573
[5-cyclopropyl-3-(3,5-dichloro-4-pyridinyl)-1,2-oxazol-4-yl]methylphosphonic acid
CID 138584982
methyl 2-[[5-cyclopropyl-3-(3,5-dichloro-4-pyridinyl)-1,2-oxazol-4-yl]methoxy]bicyclo[2.2.2]octane-1-carboxylate
CID 175987620
5-[[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]methoxy]cyclooctan-1-ol
CID 138508088
4-[[5-cyclopropyl-3-[2-(difluoromethoxy)phenyl]-1,2-oxazol-4-yl]methoxy]cyclohexan-1-one
CID 121410994
5-cyclopropyl-3-(2,6-dichlorophenyl)-4-[[4-(4-propan-2-ylphenyl)cyclohexyl]oxymethyl]-1,2-oxazole
CID 118240912
2-chloro-1-[4-[[5-cyclopropyl-3-(3,5-dichloro-4-pyridinyl)-1,2-oxazol-4-yl]methoxy]-1-bicyclo[2.2.2]octanyl]ethanone
CID 138584936
3-[[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]methoxy]-8-methylbicyclo[3.2.1]octan-8-ol
CID 155297996
5-cyclopropyl-3-(2,6-dichlorophenyl)-4-[[(2R,4S)-2-methylpiperidin-4-yl]oxymethyl]-1,2-oxazole;hydrochloride
CID 164566788
5-[4-[[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]methoxy]piperidin-1-yl]thiophene-2-carbonitrile
CID 164566603
2-[4-[[3-(3-chloro-5-methyl-4-pyridinyl)-5-cyclopropyl-1,2-oxazol-4-yl]methoxy]-1-hydroxycyclohexyl]-4-fluoro-1,3-benzothiazole-6-carboxylic acid
CID 121425256

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).