3-(1-ethyl-3-methylpyrazol-4-yl)-N-(4-ethylphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide

C18H22N4O2 — CID 6623120

IUPAC3-(1-ethyl-3-methylpyrazol-4-yl)-N-(4-ethylphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
SMILESCCc1ccc(NC(=O)C2CC(c3cn(CC)nc3C)=NO2)cc1
InChIInChI=1S/C18H22N4O2/c1-4-13-6-8-14(9-7-13)19-18(23)17-10-16(21-24-17)15-11-22(5-2)20-12(15)3/h6-9,11,17H,4-5,10H2,1-3H3,(H,19,23)
InChIKeyHCRCZLNQDXPWHO-UHFFFAOYSA-N
MW326.40 g/mol
LogP2.91
Rot. Bonds5

About 3-(1-ethyl-3-methylpyrazol-4-yl)-N-(4-ethylphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide

3-(1-ethyl-3-methylpyrazol-4-yl)-N-(4-ethylphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide (PubChem CID 6623120) has the molecular formula C18H22N4O2 and a molecular weight of 326.40 g/mol. Its IUPAC name is 3-(1-ethyl-3-methylpyrazol-4-yl)-N-(4-ethylphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound Name3-(1-ethyl-3-methylpyrazol-4-yl)-N-(4-ethylphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
PubChem CID6623120
Molecular FormulaC18H22N4O2
Molecular Weight326.40 g/mol
Exact Mass326.17
IUPAC Name3-(1-ethyl-3-methylpyrazol-4-yl)-N-(4-ethylphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
SMILESCCc1ccc(NC(=O)C2CC(c3cn(CC)nc3C)=NO2)cc1
InChIInChI=1S/C18H22N4O2/c1-4-13-6-8-14(9-7-13)19-18(23)17-10-16(21-24-17)15-11-22(5-2)20-12(15)3/h6-9,11,17H,4-5,10H2,1-3H3,(H,19,23)
InChIKeyHCRCZLNQDXPWHO-UHFFFAOYSA-N
XLogP2.91
TPSA68.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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CID 3241275
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CID 3242359
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Frequently Asked Questions

What is the IUPAC name of 3-(1-ethyl-3-methylpyrazol-4-yl)-N-(4-ethylphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide?
The IUPAC name of 3-(1-ethyl-3-methylpyrazol-4-yl)-N-(4-ethylphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide (CID 6623120) is 3-(1-ethyl-3-methylpyrazol-4-yl)-N-(4-ethylphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide.
What is the SMILES notation for 3-(1-ethyl-3-methylpyrazol-4-yl)-N-(4-ethylphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide?
The canonical SMILES for 3-(1-ethyl-3-methylpyrazol-4-yl)-N-(4-ethylphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide is CCc1ccc(NC(=O)C2CC(c3cn(CC)nc3C)=NO2)cc1.
What is the InChIKey of 3-(1-ethyl-3-methylpyrazol-4-yl)-N-(4-ethylphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide?
The InChIKey is HCRCZLNQDXPWHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O2/c1-4-13-6-8-14(9-7-13)19-18(23)17-10-16(21-24-17)15-11-22(5-2)20-12(15)3/h6-9,11,17H,4-5,10H2,1-3H3,(H,19,23).
What are the key properties of 3-(1-ethyl-3-methylpyrazol-4-yl)-N-(4-ethylphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide?
3-(1-ethyl-3-methylpyrazol-4-yl)-N-(4-ethylphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide has a molecular weight of 326.40 g/mol, XLogP of 2.91, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-ethyl-3-methylpyrazol-4-yl)-N-(4-ethylphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 6623120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).