3-(1-ethyl-5-methylpyrazol-4-yl)-N-methyl-N-[[(2R)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]methyl]-1,2-oxazole-5-carboxamide

C21H24N4O3 — CID 92628432

IUPAC3-(1-ethyl-5-methylpyrazol-4-yl)-N-methyl-N-[[(2R)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]methyl]-1,2-oxazole-5-carboxamide
SMILESCCn1ncc(-c2cc(C(=O)N(C)Cc3ccc4c(c3)C[C@@H](C)O4)on2)c1C
InChIInChI=1S/C21H24N4O3/c1-5-25-14(3)17(11-22-25)18-10-20(28-23-18)21(26)24(4)12-15-6-7-19-16(9-15)8-13(2)27-19/h6-7,9-11,13H,5,8,12H2,1-4H3/t13-/m1/s1
InChIKeyNZUWJSVTEQGZOZ-CYBMUJFWSA-N
MW380.45 g/mol
LogP3.46
Rot. Bonds5

About 3-(1-ethyl-5-methylpyrazol-4-yl)-N-methyl-N-[[(2R)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]methyl]-1,2-oxazole-5-carboxamide

3-(1-ethyl-5-methylpyrazol-4-yl)-N-methyl-N-[[(2R)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]methyl]-1,2-oxazole-5-carboxamide (PubChem CID 92628432) has the molecular formula C21H24N4O3 and a molecular weight of 380.45 g/mol. Its IUPAC name is 3-(1-ethyl-5-methylpyrazol-4-yl)-N-methyl-N-[[(2R)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]methyl]-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound Name3-(1-ethyl-5-methylpyrazol-4-yl)-N-methyl-N-[[(2R)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]methyl]-1,2-oxazole-5-carboxamide
PubChem CID92628432
Molecular FormulaC21H24N4O3
Molecular Weight380.45 g/mol
Exact Mass380.18
IUPAC Name3-(1-ethyl-5-methylpyrazol-4-yl)-N-methyl-N-[[(2R)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]methyl]-1,2-oxazole-5-carboxamide
SMILESCCn1ncc(-c2cc(C(=O)N(C)Cc3ccc4c(c3)C[C@@H](C)O4)on2)c1C
InChIInChI=1S/C21H24N4O3/c1-5-25-14(3)17(11-22-25)18-10-20(28-23-18)21(26)24(4)12-15-6-7-19-16(9-15)8-13(2)27-19/h6-7,9-11,13H,5,8,12H2,1-4H3/t13-/m1/s1
InChIKeyNZUWJSVTEQGZOZ-CYBMUJFWSA-N
XLogP3.46
TPSA73.39 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.45
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(1-ethyl-5-methylpyrazol-4-yl)-N-methyl-N-[[(2R)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]methyl]-1,2-oxazole-5-carboxamide?
The IUPAC name of 3-(1-ethyl-5-methylpyrazol-4-yl)-N-methyl-N-[[(2R)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]methyl]-1,2-oxazole-5-carboxamide (CID 92628432) is 3-(1-ethyl-5-methylpyrazol-4-yl)-N-methyl-N-[[(2R)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]methyl]-1,2-oxazole-5-carboxamide.
What is the SMILES notation for 3-(1-ethyl-5-methylpyrazol-4-yl)-N-methyl-N-[[(2R)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]methyl]-1,2-oxazole-5-carboxamide?
The canonical SMILES for 3-(1-ethyl-5-methylpyrazol-4-yl)-N-methyl-N-[[(2R)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]methyl]-1,2-oxazole-5-carboxamide is CCn1ncc(-c2cc(C(=O)N(C)Cc3ccc4c(c3)C[C@@H](C)O4)on2)c1C.
What is the InChIKey of 3-(1-ethyl-5-methylpyrazol-4-yl)-N-methyl-N-[[(2R)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]methyl]-1,2-oxazole-5-carboxamide?
The InChIKey is NZUWJSVTEQGZOZ-CYBMUJFWSA-N. The full InChI is InChI=1S/C21H24N4O3/c1-5-25-14(3)17(11-22-25)18-10-20(28-23-18)21(26)24(4)12-15-6-7-19-16(9-15)8-13(2)27-19/h6-7,9-11,13H,5,8,12H2,1-4H3/t13-/m1/s1.
What are the key properties of 3-(1-ethyl-5-methylpyrazol-4-yl)-N-methyl-N-[[(2R)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]methyl]-1,2-oxazole-5-carboxamide?
3-(1-ethyl-5-methylpyrazol-4-yl)-N-methyl-N-[[(2R)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]methyl]-1,2-oxazole-5-carboxamide has a molecular weight of 380.45 g/mol, XLogP of 3.46, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-ethyl-5-methylpyrazol-4-yl)-N-methyl-N-[[(2R)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]methyl]-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 92628432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).