3-(2,4-dichlorophenyl)-7-[(Z)-hex-2-en-3-yl]-2,6-dimethylpyrazolo[5,1-b][1,3]oxazole

C19H20Cl2N2O — CID 59186041

IUPAC3-(2,4-dichlorophenyl)-7-[(Z)-hex-2-en-3-yl]-2,6-dimethylpyrazolo[5,1-b][1,3]oxazole
SMILESC/C=C(/CCC)c1c(C)nn2c(-c3ccc(Cl)cc3Cl)c(C)oc12
InChIInChI=1S/C19H20Cl2N2O/c1-5-7-13(6-2)17-11(3)22-23-18(12(4)24-19(17)23)15-9-8-14(20)10-16(15)21/h6,8-10H,5,7H2,1-4H3/b13-6-
InChIKeyQBUMHNAHKXUFPN-MLPAPPSSSA-N
MW363.29 g/mol
LogP6.72
Rot. Bonds4

About 3-(2,4-dichlorophenyl)-7-[(Z)-hex-2-en-3-yl]-2,6-dimethylpyrazolo[5,1-b][1,3]oxazole

3-(2,4-dichlorophenyl)-7-[(Z)-hex-2-en-3-yl]-2,6-dimethylpyrazolo[5,1-b][1,3]oxazole (PubChem CID 59186041) has the molecular formula C19H20Cl2N2O and a molecular weight of 363.29 g/mol. Its IUPAC name is 3-(2,4-dichlorophenyl)-7-[(Z)-hex-2-en-3-yl]-2,6-dimethylpyrazolo[5,1-b][1,3]oxazole.

Molecular Properties

Compound Name3-(2,4-dichlorophenyl)-7-[(Z)-hex-2-en-3-yl]-2,6-dimethylpyrazolo[5,1-b][1,3]oxazole
PubChem CID59186041
Molecular FormulaC19H20Cl2N2O
Molecular Weight363.29 g/mol
Exact Mass362.10
IUPAC Name3-(2,4-dichlorophenyl)-7-[(Z)-hex-2-en-3-yl]-2,6-dimethylpyrazolo[5,1-b][1,3]oxazole
SMILESC/C=C(/CCC)c1c(C)nn2c(-c3ccc(Cl)cc3Cl)c(C)oc12
InChIInChI=1S/C19H20Cl2N2O/c1-5-7-13(6-2)17-11(3)22-23-18(12(4)24-19(17)23)15-9-8-14(20)10-16(15)21/h6,8-10H,5,7H2,1-4H3/b13-6-
InChIKeyQBUMHNAHKXUFPN-MLPAPPSSSA-N
XLogP6.72
TPSA30.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.29
LogP ≤ 56.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dichlorophenyl)-7-[(Z)-hex-2-en-3-yl]-2,6-dimethylpyrazolo[5,1-b][1,3]oxazole?
The IUPAC name of 3-(2,4-dichlorophenyl)-7-[(Z)-hex-2-en-3-yl]-2,6-dimethylpyrazolo[5,1-b][1,3]oxazole (CID 59186041) is 3-(2,4-dichlorophenyl)-7-[(Z)-hex-2-en-3-yl]-2,6-dimethylpyrazolo[5,1-b][1,3]oxazole.
What is the SMILES notation for 3-(2,4-dichlorophenyl)-7-[(Z)-hex-2-en-3-yl]-2,6-dimethylpyrazolo[5,1-b][1,3]oxazole?
The canonical SMILES for 3-(2,4-dichlorophenyl)-7-[(Z)-hex-2-en-3-yl]-2,6-dimethylpyrazolo[5,1-b][1,3]oxazole is C/C=C(/CCC)c1c(C)nn2c(-c3ccc(Cl)cc3Cl)c(C)oc12.
What is the InChIKey of 3-(2,4-dichlorophenyl)-7-[(Z)-hex-2-en-3-yl]-2,6-dimethylpyrazolo[5,1-b][1,3]oxazole?
The InChIKey is QBUMHNAHKXUFPN-MLPAPPSSSA-N. The full InChI is InChI=1S/C19H20Cl2N2O/c1-5-7-13(6-2)17-11(3)22-23-18(12(4)24-19(17)23)15-9-8-14(20)10-16(15)21/h6,8-10H,5,7H2,1-4H3/b13-6-.
What are the key properties of 3-(2,4-dichlorophenyl)-7-[(Z)-hex-2-en-3-yl]-2,6-dimethylpyrazolo[5,1-b][1,3]oxazole?
3-(2,4-dichlorophenyl)-7-[(Z)-hex-2-en-3-yl]-2,6-dimethylpyrazolo[5,1-b][1,3]oxazole has a molecular weight of 363.29 g/mol, XLogP of 6.72, 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)-7-[(Z)-hex-2-en-3-yl]-2,6-dimethylpyrazolo[5,1-b][1,3]oxazole is sourced from PubChem (CID 59186041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).