3-(2,6-dichlorophenyl)-4-methyl-5-propan-2-yl-1,2-oxazole;ethane

C17H25Cl2NO — CID 142343393

IUPAC3-(2,6-dichlorophenyl)-4-methyl-5-propan-2-yl-1,2-oxazole;ethane
SMILESCC.CC.Cc1c(-c2c(Cl)cccc2Cl)noc1C(C)C
InChIInChI=1S/C13H13Cl2NO.2C2H6/c1-7(2)13-8(3)12(16-17-13)11-9(14)5-4-6-10(11)15;2*1-2/h4-7H,1-3H3;2*1-2H3
InChIKeyUNTPOUGDOLCFSC-UHFFFAOYSA-N
MW330.30 g/mol
LogP7.13
Rot. Bonds2

About 3-(2,6-dichlorophenyl)-4-methyl-5-propan-2-yl-1,2-oxazole;ethane

3-(2,6-dichlorophenyl)-4-methyl-5-propan-2-yl-1,2-oxazole;ethane (PubChem CID 142343393) has the molecular formula C17H25Cl2NO and a molecular weight of 330.30 g/mol. Its IUPAC name is 3-(2,6-dichlorophenyl)-4-methyl-5-propan-2-yl-1,2-oxazole;ethane.

Molecular Properties

Compound Name3-(2,6-dichlorophenyl)-4-methyl-5-propan-2-yl-1,2-oxazole;ethane
PubChem CID142343393
Molecular FormulaC17H25Cl2NO
Molecular Weight330.30 g/mol
Exact Mass329.13
IUPAC Name3-(2,6-dichlorophenyl)-4-methyl-5-propan-2-yl-1,2-oxazole;ethane
SMILESCC.CC.Cc1c(-c2c(Cl)cccc2Cl)noc1C(C)C
InChIInChI=1S/C13H13Cl2NO.2C2H6/c1-7(2)13-8(3)12(16-17-13)11-9(14)5-4-6-10(11)15;2*1-2/h4-7H,1-3H3;2*1-2H3
InChIKeyUNTPOUGDOLCFSC-UHFFFAOYSA-N
XLogP7.13
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500330.30
LogP ≤ 57.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

methyl 3-(2,6-dichlorophenyl)-5-propan-2-yl-1,2-oxazole-4-carboxylate
CID 22176607
4-(2,6-dichlorophenyl)-5-propan-2-yl-1,2-oxazol-3-amine
CID 66206618
6-[[3-(2,6-dichlorophenyl)-5-propan-2-yl-1,2-oxazol-4-yl]methoxy]-2-methylpyridin-3-amine
CID 67286881
3-(2,6-dichlorophenyl)-5-(2-fluoropropan-2-yl)-4-methyl-1,2-oxazole
CID 134400417
ethyl 3-(2-chloro-6-methylphenyl)-5-propan-2-yl-1,2-oxazole-4-carboxylate
CID 142332307
4-[[3-(2,6-dichlorophenyl)-5-propan-2-yl-1,2-oxazol-4-yl]methoxy]-2-methylphenol
CID 69209967
CID 153394994
CID 153394994
4,5-dibromo-3-(2,6-dichlorophenyl)-1,2-oxazole
CID 131867562
3-(2,6-dichlorophenyl)-4-[[(2R)-2-methylpiperidin-4-yl]methyl]-5-propan-2-yl-1,2-oxazole
CID 139461451
3-[[4-[[3-(2,6-dichlorophenyl)-5-propan-2-yl-1,2-oxazol-4-yl]methoxy]-2-methylphenyl]methoxy]benzoic acid
CID 10256324
(5S)-3-[[3-(2,6-dichlorophenyl)-5-propan-2-yl-1,2-oxazol-4-yl]methoxy]bicyclo[3.2.1]octan-8-one
CID 121418867
4-(bromomethyl)-3-(2,6-dichlorophenyl)-5-propan-2-yl-1,2-oxazole;3-(2,6-dichlorophenyl)-5-propan-2-yl-4-[[(1'R,5'S)-spiro[1,3-dioxolane-2,8'-bicyclo[3.2.1]octane]-3'-yl]oxymethyl]-1,2-oxazole
CID 158644669

Frequently Asked Questions

What is the IUPAC name of 3-(2,6-dichlorophenyl)-4-methyl-5-propan-2-yl-1,2-oxazole;ethane?
The IUPAC name of 3-(2,6-dichlorophenyl)-4-methyl-5-propan-2-yl-1,2-oxazole;ethane (CID 142343393) is 3-(2,6-dichlorophenyl)-4-methyl-5-propan-2-yl-1,2-oxazole;ethane.
What is the SMILES notation for 3-(2,6-dichlorophenyl)-4-methyl-5-propan-2-yl-1,2-oxazole;ethane?
The canonical SMILES for 3-(2,6-dichlorophenyl)-4-methyl-5-propan-2-yl-1,2-oxazole;ethane is CC.CC.Cc1c(-c2c(Cl)cccc2Cl)noc1C(C)C.
What is the InChIKey of 3-(2,6-dichlorophenyl)-4-methyl-5-propan-2-yl-1,2-oxazole;ethane?
The InChIKey is UNTPOUGDOLCFSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13Cl2NO.2C2H6/c1-7(2)13-8(3)12(16-17-13)11-9(14)5-4-6-10(11)15;2*1-2/h4-7H,1-3H3;2*1-2H3.
What are the key properties of 3-(2,6-dichlorophenyl)-4-methyl-5-propan-2-yl-1,2-oxazole;ethane?
3-(2,6-dichlorophenyl)-4-methyl-5-propan-2-yl-1,2-oxazole;ethane has a molecular weight of 330.30 g/mol, XLogP of 7.13, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,6-dichlorophenyl)-4-methyl-5-propan-2-yl-1,2-oxazole;ethane is sourced from PubChem (CID 142343393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).