3-(2,4-dichlorophenyl)-2,6-dimethyl-7-[(2R)-2-methylbutyl]pyrazolo[5,1-b][1,3]oxazole

C18H20Cl2N2O — CID 143936842

IUPAC3-(2,4-dichlorophenyl)-2,6-dimethyl-7-[(2R)-2-methylbutyl]pyrazolo[5,1-b][1,3]oxazole
SMILESCC[C@@H](C)Cc1c(C)nn2c(-c3ccc(Cl)cc3Cl)c(C)oc12
InChIInChI=1S/C18H20Cl2N2O/c1-5-10(2)8-15-11(3)21-22-17(12(4)23-18(15)22)14-7-6-13(19)9-16(14)20/h6-7,9-10H,5,8H2,1-4H3/t10-/m1/s1
InChIKeyMUXFIBBJGZOAKF-SNVBAGLBSA-N
MW351.28 g/mol
LogP6.11
Rot. Bonds4

About 3-(2,4-dichlorophenyl)-2,6-dimethyl-7-[(2R)-2-methylbutyl]pyrazolo[5,1-b][1,3]oxazole

3-(2,4-dichlorophenyl)-2,6-dimethyl-7-[(2R)-2-methylbutyl]pyrazolo[5,1-b][1,3]oxazole (PubChem CID 143936842) has the molecular formula C18H20Cl2N2O and a molecular weight of 351.28 g/mol. Its IUPAC name is 3-(2,4-dichlorophenyl)-2,6-dimethyl-7-[(2R)-2-methylbutyl]pyrazolo[5,1-b][1,3]oxazole.

Molecular Properties

Compound Name3-(2,4-dichlorophenyl)-2,6-dimethyl-7-[(2R)-2-methylbutyl]pyrazolo[5,1-b][1,3]oxazole
PubChem CID143936842
Molecular FormulaC18H20Cl2N2O
Molecular Weight351.28 g/mol
Exact Mass350.10
IUPAC Name3-(2,4-dichlorophenyl)-2,6-dimethyl-7-[(2R)-2-methylbutyl]pyrazolo[5,1-b][1,3]oxazole
SMILESCC[C@@H](C)Cc1c(C)nn2c(-c3ccc(Cl)cc3Cl)c(C)oc12
InChIInChI=1S/C18H20Cl2N2O/c1-5-10(2)8-15-11(3)21-22-17(12(4)23-18(15)22)14-7-6-13(19)9-16(14)20/h6-7,9-10H,5,8H2,1-4H3/t10-/m1/s1
InChIKeyMUXFIBBJGZOAKF-SNVBAGLBSA-N
XLogP6.11
TPSA30.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500351.28
LogP ≤ 56.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2,4-dichlorophenyl)-7-[(Z)-hex-2-en-3-yl]-2,6-dimethylpyrazolo[5,1-b][1,3]oxazole
CID 59186041
ethyl 2-[3-(2,4-dichlorophenyl)-2,6-dimethylpyrazolo[5,1-b][1,3]oxazol-7-yl]oxypentanoate
CID 67212499
3-(2,4-dichlorophenyl)-2,6-dimethyl-7-(oxolan-3-yloxy)pyrazolo[5,1-b][1,3]oxazole
CID 44815059
3-(2,4-dichlorophenyl)-2,6-dimethyl-N-(oxan-4-yl)-N-propylpyrazolo[5,1-b][1,3]oxazole-7-carboxamide
CID 44814515
N-[3-(2,4-dichlorophenyl)-6-ethyl-2-methylpyrazolo[5,1-b][1,3]oxazol-7-yl]-N-(2,2,2-trifluoroethyl)propanamide
CID 44816056
4-(cyclopropylmethyl)-5-(2,4-dichlorophenyl)-1,3-dimethylpyrazole
CID 91244918
ethyl 1-[3-(2-chloro-4-methylphenyl)-2,6-dimethylpyrazolo[5,1-b][1,3]oxazol-7-yl]-5-methylpyrazole-3-carboxylate
CID 143936858
3-(2-chloro-4-methylphenyl)-2-methyl-6-propan-2-ylpyrazolo[5,1-b][1,3]oxazole
CID 143936868
8-(2,4-dichlorophenyl)-N-hexan-3-yl-2,7-dimethylpyrazolo[1,5-a][1,3,5]triazin-4-amine
CID 10668220
N-[[3-(6-chloro-4-methyl-3-pyridinyl)-2,6-dimethylpyrazolo[5,1-b][1,3]oxazol-7-yl]methyl]-N-(cyclopropylmethyl)propan-1-amine
CID 59186082
(1S)-1-[6-(2,4-dichlorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethanamine
CID 99982075
4-(2,4-dichlorophenyl)-1-methyl-3-pentan-3-ylpyrazol-5-amine
CID 43158669

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dichlorophenyl)-2,6-dimethyl-7-[(2R)-2-methylbutyl]pyrazolo[5,1-b][1,3]oxazole?
The IUPAC name of 3-(2,4-dichlorophenyl)-2,6-dimethyl-7-[(2R)-2-methylbutyl]pyrazolo[5,1-b][1,3]oxazole (CID 143936842) is 3-(2,4-dichlorophenyl)-2,6-dimethyl-7-[(2R)-2-methylbutyl]pyrazolo[5,1-b][1,3]oxazole.
What is the SMILES notation for 3-(2,4-dichlorophenyl)-2,6-dimethyl-7-[(2R)-2-methylbutyl]pyrazolo[5,1-b][1,3]oxazole?
The canonical SMILES for 3-(2,4-dichlorophenyl)-2,6-dimethyl-7-[(2R)-2-methylbutyl]pyrazolo[5,1-b][1,3]oxazole is CC[C@@H](C)Cc1c(C)nn2c(-c3ccc(Cl)cc3Cl)c(C)oc12.
What is the InChIKey of 3-(2,4-dichlorophenyl)-2,6-dimethyl-7-[(2R)-2-methylbutyl]pyrazolo[5,1-b][1,3]oxazole?
The InChIKey is MUXFIBBJGZOAKF-SNVBAGLBSA-N. The full InChI is InChI=1S/C18H20Cl2N2O/c1-5-10(2)8-15-11(3)21-22-17(12(4)23-18(15)22)14-7-6-13(19)9-16(14)20/h6-7,9-10H,5,8H2,1-4H3/t10-/m1/s1.
What are the key properties of 3-(2,4-dichlorophenyl)-2,6-dimethyl-7-[(2R)-2-methylbutyl]pyrazolo[5,1-b][1,3]oxazole?
3-(2,4-dichlorophenyl)-2,6-dimethyl-7-[(2R)-2-methylbutyl]pyrazolo[5,1-b][1,3]oxazole has a molecular weight of 351.28 g/mol, XLogP of 6.11, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dichlorophenyl)-2,6-dimethyl-7-[(2R)-2-methylbutyl]pyrazolo[5,1-b][1,3]oxazole is sourced from PubChem (CID 143936842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).