1-[3-[3-(4-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-5-methylpyrazol-1-yl]-2-methylpropan-1-one

C18H18ClN3O2 — CID 58752275

IUPAC1-[3-[3-(4-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-5-methylpyrazol-1-yl]-2-methylpropan-1-one
SMILESCc1onc(-c2ccc(Cl)cc2)c1-c1cc(C)n(C(=O)C(C)C)n1
InChIInChI=1S/C18H18ClN3O2/c1-10(2)18(23)22-11(3)9-15(20-22)16-12(4)24-21-17(16)13-5-7-14(19)8-6-13/h5-10H,1-4H3
InChIKeyGTORWZXAZDGEJT-UHFFFAOYSA-N
MW343.81 g/mol
LogP4.77
Rot. Bonds3

About 1-[3-[3-(4-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-5-methylpyrazol-1-yl]-2-methylpropan-1-one

1-[3-[3-(4-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-5-methylpyrazol-1-yl]-2-methylpropan-1-one (PubChem CID 58752275) has the molecular formula C18H18ClN3O2 and a molecular weight of 343.81 g/mol. Its IUPAC name is 1-[3-[3-(4-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-5-methylpyrazol-1-yl]-2-methylpropan-1-one.

Molecular Properties

Compound Name1-[3-[3-(4-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-5-methylpyrazol-1-yl]-2-methylpropan-1-one
PubChem CID58752275
Molecular FormulaC18H18ClN3O2
Molecular Weight343.81 g/mol
Exact Mass343.11
IUPAC Name1-[3-[3-(4-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-5-methylpyrazol-1-yl]-2-methylpropan-1-one
SMILESCc1onc(-c2ccc(Cl)cc2)c1-c1cc(C)n(C(=O)C(C)C)n1
InChIInChI=1S/C18H18ClN3O2/c1-10(2)18(23)22-11(3)9-15(20-22)16-12(4)24-21-17(16)13-5-7-14(19)8-6-13/h5-10H,1-4H3
InChIKeyGTORWZXAZDGEJT-UHFFFAOYSA-N
XLogP4.77
TPSA60.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.81
LogP ≤ 54.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-[3-(4-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-N-methylpyrazole-1-carboxamide
CID 11963244
5-[3-(4-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-N-propan-2-ylpyrazole-1-carboxamide
CID 2745572
3-[3-(4-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-N-cyclohexylpyrazole-1-carboxamide
CID 11963286
3-(4-chlorophenyl)-4-(3,5-difluoro-4-methylsulfonylphenyl)-5-methyl-1,2-oxazole
CID 22746037
3-(4-chlorophenyl)-4-[2-(4-chlorophenyl)sulfonylpyrazol-3-yl]-5-methyl-1,2-oxazole
CID 2745582
3-(4-chlorophenyl)-5-methyl-4-(1H-pyrazol-5-yl)-1,2-oxazole
CID 2745567
2-bromo-1-[3-(4-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]ethanone
CID 46741259
3-(4-chlorophenyl)-5-propan-2-yl-1,2-oxazole-4-carbonyl chloride
CID 139632562
N-(4-chlorophenyl)-N,5-dimethyl-3-(4-methylphenyl)-1,2-oxazole-4-carboxamide
CID 46232569
2-[4-(4-chlorophenyl)-3-methyl-7-oxo-[1,2]oxazolo[3,4-d]pyridazin-6-yl]acetic acid
CID 10245414
5-methyl-3-(4-propan-2-ylphenyl)-1,2-oxazole-4-carbonyl chloride
CID 13051603
4-[4-[3-(4-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]imidazol-1-yl]benzoic acid
CID 67419925

Frequently Asked Questions

What is the IUPAC name of 1-[3-[3-(4-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-5-methylpyrazol-1-yl]-2-methylpropan-1-one?
The IUPAC name of 1-[3-[3-(4-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-5-methylpyrazol-1-yl]-2-methylpropan-1-one (CID 58752275) is 1-[3-[3-(4-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-5-methylpyrazol-1-yl]-2-methylpropan-1-one.
What is the SMILES notation for 1-[3-[3-(4-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-5-methylpyrazol-1-yl]-2-methylpropan-1-one?
The canonical SMILES for 1-[3-[3-(4-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-5-methylpyrazol-1-yl]-2-methylpropan-1-one is Cc1onc(-c2ccc(Cl)cc2)c1-c1cc(C)n(C(=O)C(C)C)n1.
What is the InChIKey of 1-[3-[3-(4-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-5-methylpyrazol-1-yl]-2-methylpropan-1-one?
The InChIKey is GTORWZXAZDGEJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClN3O2/c1-10(2)18(23)22-11(3)9-15(20-22)16-12(4)24-21-17(16)13-5-7-14(19)8-6-13/h5-10H,1-4H3.
What are the key properties of 1-[3-[3-(4-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-5-methylpyrazol-1-yl]-2-methylpropan-1-one?
1-[3-[3-(4-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-5-methylpyrazol-1-yl]-2-methylpropan-1-one has a molecular weight of 343.81 g/mol, XLogP of 4.77, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[3-(4-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-5-methylpyrazol-1-yl]-2-methylpropan-1-one is sourced from PubChem (CID 58752275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).