5-(1,5-dimethylpyrazol-4-yl)-N-(2-methyl-1-propylindol-5-yl)-1,2-oxazole-3-carboxamide

C21H23N5O2 — CID 46970185

IUPAC5-(1,5-dimethylpyrazol-4-yl)-N-(2-methyl-1-propylindol-5-yl)-1,2-oxazole-3-carboxamide
SMILESCCCn1c(C)cc2cc(NC(=O)c3cc(-c4cnn(C)c4C)on3)ccc21
InChIInChI=1S/C21H23N5O2/c1-5-8-26-13(2)9-15-10-16(6-7-19(15)26)23-21(27)18-11-20(28-24-18)17-12-22-25(4)14(17)3/h6-7,9-12H,5,8H2,1-4H3,(H,23,27)
InChIKeyQKJLAQQEOYVWPR-UHFFFAOYSA-N
MW377.45 g/mol
LogP4.31
Rot. Bonds5

About 5-(1,5-dimethylpyrazol-4-yl)-N-(2-methyl-1-propylindol-5-yl)-1,2-oxazole-3-carboxamide

5-(1,5-dimethylpyrazol-4-yl)-N-(2-methyl-1-propylindol-5-yl)-1,2-oxazole-3-carboxamide (PubChem CID 46970185) has the molecular formula C21H23N5O2 and a molecular weight of 377.45 g/mol. Its IUPAC name is 5-(1,5-dimethylpyrazol-4-yl)-N-(2-methyl-1-propylindol-5-yl)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-(1,5-dimethylpyrazol-4-yl)-N-(2-methyl-1-propylindol-5-yl)-1,2-oxazole-3-carboxamide
PubChem CID46970185
Molecular FormulaC21H23N5O2
Molecular Weight377.45 g/mol
Exact Mass377.19
IUPAC Name5-(1,5-dimethylpyrazol-4-yl)-N-(2-methyl-1-propylindol-5-yl)-1,2-oxazole-3-carboxamide
SMILESCCCn1c(C)cc2cc(NC(=O)c3cc(-c4cnn(C)c4C)on3)ccc21
InChIInChI=1S/C21H23N5O2/c1-5-8-26-13(2)9-15-10-16(6-7-19(15)26)23-21(27)18-11-20(28-24-18)17-12-22-25(4)14(17)3/h6-7,9-12H,5,8H2,1-4H3,(H,23,27)
InChIKeyQKJLAQQEOYVWPR-UHFFFAOYSA-N
XLogP4.31
TPSA77.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.45
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(1,5-dimethylpyrazol-4-yl)-N-(2-methyl-1-propylindol-5-yl)-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-(1,5-dimethylpyrazol-4-yl)-N-(2-methyl-1-propylindol-5-yl)-1,2-oxazole-3-carboxamide (CID 46970185) is 5-(1,5-dimethylpyrazol-4-yl)-N-(2-methyl-1-propylindol-5-yl)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-(1,5-dimethylpyrazol-4-yl)-N-(2-methyl-1-propylindol-5-yl)-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-(1,5-dimethylpyrazol-4-yl)-N-(2-methyl-1-propylindol-5-yl)-1,2-oxazole-3-carboxamide is CCCn1c(C)cc2cc(NC(=O)c3cc(-c4cnn(C)c4C)on3)ccc21.
What is the InChIKey of 5-(1,5-dimethylpyrazol-4-yl)-N-(2-methyl-1-propylindol-5-yl)-1,2-oxazole-3-carboxamide?
The InChIKey is QKJLAQQEOYVWPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O2/c1-5-8-26-13(2)9-15-10-16(6-7-19(15)26)23-21(27)18-11-20(28-24-18)17-12-22-25(4)14(17)3/h6-7,9-12H,5,8H2,1-4H3,(H,23,27).
What are the key properties of 5-(1,5-dimethylpyrazol-4-yl)-N-(2-methyl-1-propylindol-5-yl)-1,2-oxazole-3-carboxamide?
5-(1,5-dimethylpyrazol-4-yl)-N-(2-methyl-1-propylindol-5-yl)-1,2-oxazole-3-carboxamide has a molecular weight of 377.45 g/mol, XLogP of 4.31, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,5-dimethylpyrazol-4-yl)-N-(2-methyl-1-propylindol-5-yl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 46970185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).