2-(1-methylpyrazol-4-yl)ethyl 5-(4-methylphenyl)-1,3-oxazole-4-carboxylate

C17H17N3O3 — CID 71869397

IUPAC2-(1-methylpyrazol-4-yl)ethyl 5-(4-methylphenyl)-1,3-oxazole-4-carboxylate
SMILESCc1ccc(-c2ocnc2C(=O)OCCc2cnn(C)c2)cc1
InChIInChI=1S/C17H17N3O3/c1-12-3-5-14(6-4-12)16-15(18-11-23-16)17(21)22-8-7-13-9-19-20(2)10-13/h3-6,9-11H,7-8H2,1-2H3
InChIKeyJEZMDKOGRTXIMA-UHFFFAOYSA-N
MW311.34 g/mol
LogP2.78
Rot. Bonds5

About 2-(1-methylpyrazol-4-yl)ethyl 5-(4-methylphenyl)-1,3-oxazole-4-carboxylate

2-(1-methylpyrazol-4-yl)ethyl 5-(4-methylphenyl)-1,3-oxazole-4-carboxylate (PubChem CID 71869397) has the molecular formula C17H17N3O3 and a molecular weight of 311.34 g/mol. Its IUPAC name is 2-(1-methylpyrazol-4-yl)ethyl 5-(4-methylphenyl)-1,3-oxazole-4-carboxylate.

Molecular Properties

Compound Name2-(1-methylpyrazol-4-yl)ethyl 5-(4-methylphenyl)-1,3-oxazole-4-carboxylate
PubChem CID71869397
Molecular FormulaC17H17N3O3
Molecular Weight311.34 g/mol
Exact Mass311.13
IUPAC Name2-(1-methylpyrazol-4-yl)ethyl 5-(4-methylphenyl)-1,3-oxazole-4-carboxylate
SMILESCc1ccc(-c2ocnc2C(=O)OCCc2cnn(C)c2)cc1
InChIInChI=1S/C17H17N3O3/c1-12-3-5-14(6-4-12)16-15(18-11-23-16)17(21)22-8-7-13-9-19-20(2)10-13/h3-6,9-11H,7-8H2,1-2H3
InChIKeyJEZMDKOGRTXIMA-UHFFFAOYSA-N
XLogP2.78
TPSA70.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.34
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 5-[4-(2-hydroxyethyl)phenyl]-1,3-oxazole-4-carboxylate
CID 170887366
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2-(1-methylpyrazol-4-yl)ethyl 2-(4-methoxyphenyl)-1,3-thiazole-4-carboxylate
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CID 103003530
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2-(1-methylpyrazol-4-yl)ethyl 4-bromo-2,6-difluorobenzoate
CID 75512837
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CID 111277800
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CID 103720457
formic acid;4-[1-[2-(1-methylpyrazol-4-yl)ethyl]imidazol-2-yl]benzamide
CID 154922508
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CID 102999366
ethyl 3-[2-(1-methylpyrazol-4-yl)ethylamino]propanoate
CID 80689143
N-methyl-2-(4-methylphenoxy)-N-[(1-methylpyrazol-4-yl)methyl]acetamide
CID 17376901

Frequently Asked Questions

What is the IUPAC name of 2-(1-methylpyrazol-4-yl)ethyl 5-(4-methylphenyl)-1,3-oxazole-4-carboxylate?
The IUPAC name of 2-(1-methylpyrazol-4-yl)ethyl 5-(4-methylphenyl)-1,3-oxazole-4-carboxylate (CID 71869397) is 2-(1-methylpyrazol-4-yl)ethyl 5-(4-methylphenyl)-1,3-oxazole-4-carboxylate.
What is the SMILES notation for 2-(1-methylpyrazol-4-yl)ethyl 5-(4-methylphenyl)-1,3-oxazole-4-carboxylate?
The canonical SMILES for 2-(1-methylpyrazol-4-yl)ethyl 5-(4-methylphenyl)-1,3-oxazole-4-carboxylate is Cc1ccc(-c2ocnc2C(=O)OCCc2cnn(C)c2)cc1.
What is the InChIKey of 2-(1-methylpyrazol-4-yl)ethyl 5-(4-methylphenyl)-1,3-oxazole-4-carboxylate?
The InChIKey is JEZMDKOGRTXIMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O3/c1-12-3-5-14(6-4-12)16-15(18-11-23-16)17(21)22-8-7-13-9-19-20(2)10-13/h3-6,9-11H,7-8H2,1-2H3.
What are the key properties of 2-(1-methylpyrazol-4-yl)ethyl 5-(4-methylphenyl)-1,3-oxazole-4-carboxylate?
2-(1-methylpyrazol-4-yl)ethyl 5-(4-methylphenyl)-1,3-oxazole-4-carboxylate has a molecular weight of 311.34 g/mol, XLogP of 2.78, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylpyrazol-4-yl)ethyl 5-(4-methylphenyl)-1,3-oxazole-4-carboxylate is sourced from PubChem (CID 71869397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).