5-methyl-3-[[3-[3-(1,3-thiazol-2-yl)phenyl]pyrazol-1-yl]methyl]-1,2-oxazole

C17H14N4OS — CID 29023135

IUPAC5-methyl-3-[[3-[3-(1,3-thiazol-2-yl)phenyl]pyrazol-1-yl]methyl]-1,2-oxazole
SMILESCc1cc(Cn2ccc(-c3cccc(-c4nccs4)c3)n2)no1
InChIInChI=1S/C17H14N4OS/c1-12-9-15(20-22-12)11-21-7-5-16(19-21)13-3-2-4-14(10-13)17-18-6-8-23-17/h2-10H,11H2,1H3
InChIKeyVQDNKWGWZOXZDH-UHFFFAOYSA-N
MW322.39 g/mol
LogP4.02
Rot. Bonds4

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

5-methyl-3-[[3-[3-(1,3-thiazol-2-yl)phenyl]pyrazol-1-yl]methyl]-1,2-oxazole (PubChem CID 29023135) has the molecular formula C17H14N4OS and a molecular weight of 322.39 g/mol. Its IUPAC name is 5-methyl-3-[[3-[3-(1,3-thiazol-2-yl)phenyl]pyrazol-1-yl]methyl]-1,2-oxazole.

Molecular Properties

Compound Name5-methyl-3-[[3-[3-(1,3-thiazol-2-yl)phenyl]pyrazol-1-yl]methyl]-1,2-oxazole
PubChem CID29023135
Molecular FormulaC17H14N4OS
Molecular Weight322.39 g/mol
Exact Mass322.09
IUPAC Name5-methyl-3-[[3-[3-(1,3-thiazol-2-yl)phenyl]pyrazol-1-yl]methyl]-1,2-oxazole
SMILESCc1cc(Cn2ccc(-c3cccc(-c4nccs4)c3)n2)no1
InChIInChI=1S/C17H14N4OS/c1-12-9-15(20-22-12)11-21-7-5-16(19-21)13-3-2-4-14(10-13)17-18-6-8-23-17/h2-10H,11H2,1H3
InChIKeyVQDNKWGWZOXZDH-UHFFFAOYSA-N
XLogP4.02
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.39
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-5-(1,3-thiazol-5-yl)-1,2-oxazole-3-carboxamide
CID 146220519
N-(1-benzylpyrazol-4-yl)-5-(1,3-thiazol-5-yl)-1,2-oxazole-3-carboxamide
CID 146220688
5-Methyl-3-[4-[2-[3-(trifluoromethyl)phenyl]sulfonylpyrazol-3-yl]-1,3-thiazol-2-yl]-1,2-oxazole
CID 2745761
N-(1-benzylpyrazol-4-yl)-5-[2-(methoxymethyl)-1,3-thiazol-5-yl]-1,2-oxazole-3-carboxamide
CID 146220581
N-(1-benzylpyrazol-4-yl)-5-(1,3-thiazol-2-yl)-1,2-oxazole-3-carboxamide
CID 146220638
3-[4-[2-(Benzenesulfonyl)pyrazol-3-yl]-1,3-thiazol-2-yl]-5-methyl-1,2-oxazole
CID 2745762
3,5-Dimethyl-4-(1-{[1-phenyl-3-(thiophen-2-YL)-1H-pyrazol-4-YL]methyl}pyrrolidin-2-YL)-1,2-oxazole
CID 46366463
1-[3-(2,5-dimethyl-3-thienyl)-1-(2-fluorophenyl)-1H-pyrazol-4-yl]-N-(3-isoxazolylmethyl)-N-methylmethanamine
CID 25374066
5-methyl-3-({3-[3-(2-thienyl)phenyl]-1H-pyrazol-1-yl}methyl)isoxazole
CID 28955368
1-[4-[4-(5-Cyclohexa-1,5-dien-1-yl-1,2-oxazol-3-yl)-1,3-thiazol-2-yl]piperidin-1-yl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethanethione
CID 87558171
2-[2-[1-tert-butyl-5-(4-fluorophenyl)pyrazol-4-yl]-1,3-thiazol-4-yl]-N-[(3-methyl-1,2-oxazol-5-yl)methyl]acetamide
CID 90184560
2-[2-[1-tert-butyl-5-(4-fluorophenyl)pyrazol-4-yl]-1,3-thiazol-4-yl]-N-[(3-ethyl-1,2-oxazol-5-yl)methyl]acetamide
CID 130370716

Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-[[3-[3-(1,3-thiazol-2-yl)phenyl]pyrazol-1-yl]methyl]-1,2-oxazole?
The IUPAC name of 5-methyl-3-[[3-[3-(1,3-thiazol-2-yl)phenyl]pyrazol-1-yl]methyl]-1,2-oxazole (CID 29023135) is 5-methyl-3-[[3-[3-(1,3-thiazol-2-yl)phenyl]pyrazol-1-yl]methyl]-1,2-oxazole.
What is the SMILES notation for 5-methyl-3-[[3-[3-(1,3-thiazol-2-yl)phenyl]pyrazol-1-yl]methyl]-1,2-oxazole?
The canonical SMILES for 5-methyl-3-[[3-[3-(1,3-thiazol-2-yl)phenyl]pyrazol-1-yl]methyl]-1,2-oxazole is Cc1cc(Cn2ccc(-c3cccc(-c4nccs4)c3)n2)no1.
What is the InChIKey of 5-methyl-3-[[3-[3-(1,3-thiazol-2-yl)phenyl]pyrazol-1-yl]methyl]-1,2-oxazole?
The InChIKey is VQDNKWGWZOXZDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N4OS/c1-12-9-15(20-22-12)11-21-7-5-16(19-21)13-3-2-4-14(10-13)17-18-6-8-23-17/h2-10H,11H2,1H3.
What are the key properties of 5-methyl-3-[[3-[3-(1,3-thiazol-2-yl)phenyl]pyrazol-1-yl]methyl]-1,2-oxazole?
5-methyl-3-[[3-[3-(1,3-thiazol-2-yl)phenyl]pyrazol-1-yl]methyl]-1,2-oxazole has a molecular weight of 322.39 g/mol, XLogP of 4.02, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-[[3-[3-(1,3-thiazol-2-yl)phenyl]pyrazol-1-yl]methyl]-1,2-oxazole is sourced from PubChem (CID 29023135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).