methyl 4-methyl-1-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]pyrazole-3-carboxylate

C15H15N3O3S — CID 154765152

IUPACmethyl 4-methyl-1-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]pyrazole-3-carboxylate
SMILESCOC(=O)c1nn(Cc2nc(-c3cccs3)oc2C)cc1C
InChIInChI=1S/C15H15N3O3S/c1-9-7-18(17-13(9)15(19)20-3)8-11-10(2)21-14(16-11)12-5-4-6-22-12/h4-7H,8H2,1-3H3
InChIKeySLPNUUMMRWVGPG-UHFFFAOYSA-N
MW317.37 g/mol
LogP3.05
Rot. Bonds4

About methyl 4-methyl-1-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]pyrazole-3-carboxylate

methyl 4-methyl-1-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]pyrazole-3-carboxylate (PubChem CID 154765152) has the molecular formula C15H15N3O3S and a molecular weight of 317.37 g/mol. Its IUPAC name is methyl 4-methyl-1-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]pyrazole-3-carboxylate.

Molecular Properties

Compound Namemethyl 4-methyl-1-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]pyrazole-3-carboxylate
PubChem CID154765152
Molecular FormulaC15H15N3O3S
Molecular Weight317.37 g/mol
Exact Mass317.08
IUPAC Namemethyl 4-methyl-1-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]pyrazole-3-carboxylate
SMILESCOC(=O)c1nn(Cc2nc(-c3cccs3)oc2C)cc1C
InChIInChI=1S/C15H15N3O3S/c1-9-7-18(17-13(9)15(19)20-3)8-11-10(2)21-14(16-11)12-5-4-6-22-12/h4-7H,8H2,1-3H3
InChIKeySLPNUUMMRWVGPG-UHFFFAOYSA-N
XLogP3.05
TPSA70.15 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.37
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze methyl 4-methyl-1-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]pyrazole-3-carboxylate with MolForge

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Launch Full Analysis

Related Compounds

methyl 2-methyl-4-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]thieno[3,2-b]pyrrole-5-carboxylate
CID 46260757
methyl 2-methyl-3-[methyl-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]amino]propanoate
CID 60965751
methyl 4-methyl-2-[[2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetyl]amino]-1,3-thiazole-5-carboxylate
CID 134046092
4-[[4-(2-methoxyethoxy)piperidin-1-yl]methyl]-5-methyl-2-thiophen-2-yl-1,3-oxazole
CID 42379670
4-(chloromethyl)-5-methyl-2-thiophen-2-yl-1,3-oxazole
CID 5076491
(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl 5-chloro-1,3-dimethylpyrazole-4-carboxylate
CID 24619120
methyl 5-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]-6,11,11-trioxobenzo[b][1,4]benzothiazepine-3-carboxylate
CID 46285445
(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl 2-acetamido-3-methylbenzoate
CID 24619139
N-[[1-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]piperidin-4-yl]methyl]ethanamine;hydrochloride
CID 119928180
(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl 2-(methylamino)benzoate
CID 24651519
methyl 4-(2-methylpropyl)-2-[[2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetyl]amino]thiophene-3-carboxylate
CID 55645535
N-(2-aminoethyl)-2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetamide
CID 119384938

Frequently Asked Questions

What is the IUPAC name of methyl 4-methyl-1-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]pyrazole-3-carboxylate?
The IUPAC name of methyl 4-methyl-1-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]pyrazole-3-carboxylate (CID 154765152) is methyl 4-methyl-1-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]pyrazole-3-carboxylate.
What is the SMILES notation for methyl 4-methyl-1-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]pyrazole-3-carboxylate?
The canonical SMILES for methyl 4-methyl-1-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]pyrazole-3-carboxylate is COC(=O)c1nn(Cc2nc(-c3cccs3)oc2C)cc1C.
What is the InChIKey of methyl 4-methyl-1-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]pyrazole-3-carboxylate?
The InChIKey is SLPNUUMMRWVGPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O3S/c1-9-7-18(17-13(9)15(19)20-3)8-11-10(2)21-14(16-11)12-5-4-6-22-12/h4-7H,8H2,1-3H3.
What are the key properties of methyl 4-methyl-1-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]pyrazole-3-carboxylate?
methyl 4-methyl-1-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]pyrazole-3-carboxylate has a molecular weight of 317.37 g/mol, XLogP of 3.05, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-methyl-1-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]pyrazole-3-carboxylate is sourced from PubChem (CID 154765152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).