3-(2-chloro-4-methylphenyl)-2-methyl-6-propan-2-ylpyrazolo[5,1-b][1,3]oxazole

C16H17ClN2O — CID 143936868

IUPAC3-(2-chloro-4-methylphenyl)-2-methyl-6-propan-2-ylpyrazolo[5,1-b][1,3]oxazole
SMILESCc1ccc(-c2c(C)oc3cc(C(C)C)nn23)c(Cl)c1
InChIInChI=1S/C16H17ClN2O/c1-9(2)14-8-15-19(18-14)16(11(4)20-15)12-6-5-10(3)7-13(12)17/h5-9H,1-4H3
InChIKeyCULCAVIBSWXZMZ-UHFFFAOYSA-N
MW288.78 g/mol
LogP4.99
Rot. Bonds2

About 3-(2-chloro-4-methylphenyl)-2-methyl-6-propan-2-ylpyrazolo[5,1-b][1,3]oxazole

3-(2-chloro-4-methylphenyl)-2-methyl-6-propan-2-ylpyrazolo[5,1-b][1,3]oxazole (PubChem CID 143936868) has the molecular formula C16H17ClN2O and a molecular weight of 288.78 g/mol. Its IUPAC name is 3-(2-chloro-4-methylphenyl)-2-methyl-6-propan-2-ylpyrazolo[5,1-b][1,3]oxazole.

Molecular Properties

Compound Name3-(2-chloro-4-methylphenyl)-2-methyl-6-propan-2-ylpyrazolo[5,1-b][1,3]oxazole
PubChem CID143936868
Molecular FormulaC16H17ClN2O
Molecular Weight288.78 g/mol
Exact Mass288.10
IUPAC Name3-(2-chloro-4-methylphenyl)-2-methyl-6-propan-2-ylpyrazolo[5,1-b][1,3]oxazole
SMILESCc1ccc(-c2c(C)oc3cc(C(C)C)nn23)c(Cl)c1
InChIInChI=1S/C16H17ClN2O/c1-9(2)14-8-15-19(18-14)16(11(4)20-15)12-6-5-10(3)7-13(12)17/h5-9H,1-4H3
InChIKeyCULCAVIBSWXZMZ-UHFFFAOYSA-N
XLogP4.99
TPSA30.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.78
LogP ≤ 54.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2,5-bis(2-chloro-4-methylphenyl)-1,3,4-oxadiazole
CID 59937379
1-[5-(2-chloro-4-methylphenyl)furan-2-yl]ethanamine
CID 62498412
3-(2,4-dichlorophenyl)-2,6-dimethyl-7-[(2R)-2-methylbutyl]pyrazolo[5,1-b][1,3]oxazole
CID 143936842
N-[1-[5-(2-chloro-4-methylphenyl)furan-2-yl]ethyl]propan-1-amine
CID 63398504
ethyl 1-[3-(2-chloro-4-methylphenyl)-2,6-dimethylpyrazolo[5,1-b][1,3]oxazol-7-yl]-5-methylpyrazole-3-carboxylate
CID 143936858
4-(2-chloro-4-methylphenyl)-5-methylthiadiazole
CID 71017980
6-chloro-3-(2-chloro-4-methylphenyl)-7,8-dimethyl-[1,2,4]triazolo[4,3-b]pyridazine
CID 106861757
4-(2-chloro-4-methylphenyl)pyridine
CID 46317056
1,2-dichloro-4-methylbenzene;zinc
CID 174694337
4-(2-chloro-4-methylphenyl)-1-(3-methylbutyl)pyrazole-3-carbonitrile
CID 137371541
5-(2-chloro-4-methylphenyl)-2-methyl-1,2,4-triazol-3-amine
CID 106860891
4-chloro-2-(2-chloro-4-methylphenyl)quinazoline
CID 106860906

Frequently Asked Questions

What is the IUPAC name of 3-(2-chloro-4-methylphenyl)-2-methyl-6-propan-2-ylpyrazolo[5,1-b][1,3]oxazole?
The IUPAC name of 3-(2-chloro-4-methylphenyl)-2-methyl-6-propan-2-ylpyrazolo[5,1-b][1,3]oxazole (CID 143936868) is 3-(2-chloro-4-methylphenyl)-2-methyl-6-propan-2-ylpyrazolo[5,1-b][1,3]oxazole.
What is the SMILES notation for 3-(2-chloro-4-methylphenyl)-2-methyl-6-propan-2-ylpyrazolo[5,1-b][1,3]oxazole?
The canonical SMILES for 3-(2-chloro-4-methylphenyl)-2-methyl-6-propan-2-ylpyrazolo[5,1-b][1,3]oxazole is Cc1ccc(-c2c(C)oc3cc(C(C)C)nn23)c(Cl)c1.
What is the InChIKey of 3-(2-chloro-4-methylphenyl)-2-methyl-6-propan-2-ylpyrazolo[5,1-b][1,3]oxazole?
The InChIKey is CULCAVIBSWXZMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN2O/c1-9(2)14-8-15-19(18-14)16(11(4)20-15)12-6-5-10(3)7-13(12)17/h5-9H,1-4H3.
What are the key properties of 3-(2-chloro-4-methylphenyl)-2-methyl-6-propan-2-ylpyrazolo[5,1-b][1,3]oxazole?
3-(2-chloro-4-methylphenyl)-2-methyl-6-propan-2-ylpyrazolo[5,1-b][1,3]oxazole has a molecular weight of 288.78 g/mol, XLogP of 4.99, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chloro-4-methylphenyl)-2-methyl-6-propan-2-ylpyrazolo[5,1-b][1,3]oxazole is sourced from PubChem (CID 143936868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).