5-[(3,5-dimethylpyrazol-1-yl)methyl]-3-[3-(1,3-thiazol-2-yl)phenyl]-4,5-dihydro-1,2-oxazole

C18H18N4OS — CID 171679157

IUPAC5-[(3,5-dimethylpyrazol-1-yl)methyl]-3-[3-(1,3-thiazol-2-yl)phenyl]-4,5-dihydro-1,2-oxazole
SMILESCc1cc(C)n(CC2CC(c3cccc(-c4nccs4)c3)=NO2)n1
InChIInChI=1S/C18H18N4OS/c1-12-8-13(2)22(20-12)11-16-10-17(21-23-16)14-4-3-5-15(9-14)18-19-6-7-24-18/h3-9,16H,10-11H2,1-2H3
InChIKeyRSCKAWUOPXZMMK-UHFFFAOYSA-N
MW338.44 g/mol
LogP3.82
Rot. Bonds4

About 5-[(3,5-dimethylpyrazol-1-yl)methyl]-3-[3-(1,3-thiazol-2-yl)phenyl]-4,5-dihydro-1,2-oxazole

5-[(3,5-dimethylpyrazol-1-yl)methyl]-3-[3-(1,3-thiazol-2-yl)phenyl]-4,5-dihydro-1,2-oxazole (PubChem CID 171679157) has the molecular formula C18H18N4OS and a molecular weight of 338.44 g/mol. Its IUPAC name is 5-[(3,5-dimethylpyrazol-1-yl)methyl]-3-[3-(1,3-thiazol-2-yl)phenyl]-4,5-dihydro-1,2-oxazole.

Molecular Properties

Compound Name5-[(3,5-dimethylpyrazol-1-yl)methyl]-3-[3-(1,3-thiazol-2-yl)phenyl]-4,5-dihydro-1,2-oxazole
PubChem CID171679157
Molecular FormulaC18H18N4OS
Molecular Weight338.44 g/mol
Exact Mass338.12
IUPAC Name5-[(3,5-dimethylpyrazol-1-yl)methyl]-3-[3-(1,3-thiazol-2-yl)phenyl]-4,5-dihydro-1,2-oxazole
SMILESCc1cc(C)n(CC2CC(c3cccc(-c4nccs4)c3)=NO2)n1
InChIInChI=1S/C18H18N4OS/c1-12-8-13(2)22(20-12)11-16-10-17(21-23-16)14-4-3-5-15(9-14)18-19-6-7-24-18/h3-9,16H,10-11H2,1-2H3
InChIKeyRSCKAWUOPXZMMK-UHFFFAOYSA-N
XLogP3.82
TPSA52.30 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.44
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

5-[(3,5-dimethylpyrazol-1-yl)methyl]-3-(3-pyrimidin-2-ylphenyl)-4,5-dihydro-1,2-oxazole
CID 171679165
(5R)-5-[(3,5-dimethylpyrazol-1-yl)methyl]-3-(3-fluorophenyl)-4,5-dihydro-1,2-oxazole
CID 171679243
5-[(3,5-dimethylpyrazol-1-yl)methyl]-3-(3-pyrimidin-5-ylphenyl)-4,5-dihydro-1,2-oxazole
CID 171679195
(5R)-3-(2,6-difluorophenyl)-5-[(3,5-dimethylpyrazol-1-yl)methyl]-4,5-dihydro-1,2-oxazole
CID 171679289
5-[(3,5-dimethylpyrazol-1-yl)methyl]-3-(4-fluoro-3-methylsulfonylphenyl)-4,5-dihydro-1,2-oxazole
CID 171679228
(5R)-5-[(3,5-dimethylpyrazol-1-yl)methyl]-3-(2-propan-2-ylphenyl)-4,5-dihydro-1,2-oxazole
CID 171679290
2-[3-(1-ethylpyrazol-3-yl)phenyl]-1,3-thiazole
CID 29150984
N,N-dimethyl-1-[3-(1,3-thiazol-2-yl)phenyl]methanamine
CID 173380030
3-(5-ethyl-4,5-dihydro-1,2-oxazol-3-yl)benzonitrile
CID 138691686
ethane;N-methyl-3-(1,3-thiazol-2-yl)aniline
CID 143181511
2-[3-[7-[3-(1,3-thiazol-2-yl)phenyl]triphenylen-2-yl]phenyl]-1,3-thiazole
CID 121297684
2-(3,5-dimethylpyrazol-1-yl)-N-[(1S)-1-(1,3-thiazol-2-yl)-2-thiophen-2-ylethyl]acetamide
CID 92603142

Frequently Asked Questions

What is the IUPAC name of 5-[(3,5-dimethylpyrazol-1-yl)methyl]-3-[3-(1,3-thiazol-2-yl)phenyl]-4,5-dihydro-1,2-oxazole?
The IUPAC name of 5-[(3,5-dimethylpyrazol-1-yl)methyl]-3-[3-(1,3-thiazol-2-yl)phenyl]-4,5-dihydro-1,2-oxazole (CID 171679157) is 5-[(3,5-dimethylpyrazol-1-yl)methyl]-3-[3-(1,3-thiazol-2-yl)phenyl]-4,5-dihydro-1,2-oxazole.
What is the SMILES notation for 5-[(3,5-dimethylpyrazol-1-yl)methyl]-3-[3-(1,3-thiazol-2-yl)phenyl]-4,5-dihydro-1,2-oxazole?
The canonical SMILES for 5-[(3,5-dimethylpyrazol-1-yl)methyl]-3-[3-(1,3-thiazol-2-yl)phenyl]-4,5-dihydro-1,2-oxazole is Cc1cc(C)n(CC2CC(c3cccc(-c4nccs4)c3)=NO2)n1.
What is the InChIKey of 5-[(3,5-dimethylpyrazol-1-yl)methyl]-3-[3-(1,3-thiazol-2-yl)phenyl]-4,5-dihydro-1,2-oxazole?
The InChIKey is RSCKAWUOPXZMMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4OS/c1-12-8-13(2)22(20-12)11-16-10-17(21-23-16)14-4-3-5-15(9-14)18-19-6-7-24-18/h3-9,16H,10-11H2,1-2H3.
What are the key properties of 5-[(3,5-dimethylpyrazol-1-yl)methyl]-3-[3-(1,3-thiazol-2-yl)phenyl]-4,5-dihydro-1,2-oxazole?
5-[(3,5-dimethylpyrazol-1-yl)methyl]-3-[3-(1,3-thiazol-2-yl)phenyl]-4,5-dihydro-1,2-oxazole has a molecular weight of 338.44 g/mol, XLogP of 3.82, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3,5-dimethylpyrazol-1-yl)methyl]-3-[3-(1,3-thiazol-2-yl)phenyl]-4,5-dihydro-1,2-oxazole is sourced from PubChem (CID 171679157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).