(3-methyl-1,2-oxazol-5-yl)methyl 5-methyl-1-phenylpyrazole-4-carboxylate

C16H15N3O3 — CID 18124049

IUPAC(3-methyl-1,2-oxazol-5-yl)methyl 5-methyl-1-phenylpyrazole-4-carboxylate
SMILESCc1cc(COC(=O)c2cnn(-c3ccccc3)c2C)on1
InChIInChI=1S/C16H15N3O3/c1-11-8-14(22-18-11)10-21-16(20)15-9-17-19(12(15)2)13-6-4-3-5-7-13/h3-9H,10H2,1-2H3
InChIKeyGSLBHTPWWMWSHP-UHFFFAOYSA-N
MW297.31 g/mol
LogP2.83
Rot. Bonds4

About (3-methyl-1,2-oxazol-5-yl)methyl 5-methyl-1-phenylpyrazole-4-carboxylate

(3-methyl-1,2-oxazol-5-yl)methyl 5-methyl-1-phenylpyrazole-4-carboxylate (PubChem CID 18124049) has the molecular formula C16H15N3O3 and a molecular weight of 297.31 g/mol. Its IUPAC name is (3-methyl-1,2-oxazol-5-yl)methyl 5-methyl-1-phenylpyrazole-4-carboxylate.

Molecular Properties

Compound Name(3-methyl-1,2-oxazol-5-yl)methyl 5-methyl-1-phenylpyrazole-4-carboxylate
PubChem CID18124049
Molecular FormulaC16H15N3O3
Molecular Weight297.31 g/mol
Exact Mass297.11
IUPAC Name(3-methyl-1,2-oxazol-5-yl)methyl 5-methyl-1-phenylpyrazole-4-carboxylate
SMILESCc1cc(COC(=O)c2cnn(-c3ccccc3)c2C)on1
InChIInChI=1S/C16H15N3O3/c1-11-8-14(22-18-11)10-21-16(20)15-9-17-19(12(15)2)13-6-4-3-5-7-13/h3-9H,10H2,1-2H3
InChIKeyGSLBHTPWWMWSHP-UHFFFAOYSA-N
XLogP2.83
TPSA70.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.31
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(3-methyl-1,2-oxazol-5-yl)methyl 6-methyl-4-oxo-1-phenylpyridazine-3-carboxylate
CID 40766867
[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl 5-methyl-1-phenylpyrazole-4-carboxylate
CID 34278244
ethyl 1-(4-hydroxyphenyl)-5-methylpyrazole-4-carboxylate
CID 86692424
ethyl 2-[(5-methyl-1-phenylpyrazole-4-carbonyl)amino]benzoate
CID 38074348
3-(6-methyl-2-pyridinyl)propyl 5-methyl-1-phenylpyrazole-4-carboxylate
CID 78830030
[(2S)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl] 5-methyl-1-phenylpyrazole-4-carboxylate
CID 41272031
[2-(2,3-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl 5-methyl-1-phenylpyrazole-4-carboxylate
CID 46661948
(3-methyl-1,2-oxazol-5-yl)methyl 2-ethylsulfinylbenzoate
CID 75524884
(3-methyl-1,2-oxazol-5-yl)methyl 2-(4-chlorobenzoyl)benzoate
CID 18098467
[2-(2,5-dimethoxyphenyl)-2-oxoethyl] 5-methyl-1-phenylpyrazole-4-carboxylate
CID 25379932
5-methyl-1-phenyl-N-(2-phenylethyl)pyrazole-4-carboxamide
CID 11098783
[2-(2-chloroanilino)-2-oxoethyl] 5-methyl-1-phenylpyrazole-4-carboxylate
CID 18124031

Frequently Asked Questions

What is the IUPAC name of (3-methyl-1,2-oxazol-5-yl)methyl 5-methyl-1-phenylpyrazole-4-carboxylate?
The IUPAC name of (3-methyl-1,2-oxazol-5-yl)methyl 5-methyl-1-phenylpyrazole-4-carboxylate (CID 18124049) is (3-methyl-1,2-oxazol-5-yl)methyl 5-methyl-1-phenylpyrazole-4-carboxylate.
What is the SMILES notation for (3-methyl-1,2-oxazol-5-yl)methyl 5-methyl-1-phenylpyrazole-4-carboxylate?
The canonical SMILES for (3-methyl-1,2-oxazol-5-yl)methyl 5-methyl-1-phenylpyrazole-4-carboxylate is Cc1cc(COC(=O)c2cnn(-c3ccccc3)c2C)on1.
What is the InChIKey of (3-methyl-1,2-oxazol-5-yl)methyl 5-methyl-1-phenylpyrazole-4-carboxylate?
The InChIKey is GSLBHTPWWMWSHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O3/c1-11-8-14(22-18-11)10-21-16(20)15-9-17-19(12(15)2)13-6-4-3-5-7-13/h3-9H,10H2,1-2H3.
What are the key properties of (3-methyl-1,2-oxazol-5-yl)methyl 5-methyl-1-phenylpyrazole-4-carboxylate?
(3-methyl-1,2-oxazol-5-yl)methyl 5-methyl-1-phenylpyrazole-4-carboxylate has a molecular weight of 297.31 g/mol, XLogP of 2.83, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methyl-1,2-oxazol-5-yl)methyl 5-methyl-1-phenylpyrazole-4-carboxylate is sourced from PubChem (CID 18124049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).