N-[1-(4-tert-butylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-4-methyl-1,3-oxazole-5-carboxamide

C22H26N4O2 — CID 24793445

IUPACN-[1-(4-tert-butylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-4-methyl-1,3-oxazole-5-carboxamide
SMILESCc1ncoc1C(=O)NC1CCCc2c1cnn2-c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C22H26N4O2/c1-14-20(28-13-23-14)21(27)25-18-6-5-7-19-17(18)12-24-26(19)16-10-8-15(9-11-16)22(2,3)4/h8-13,18H,5-7H2,1-4H3,(H,25,27)
InChIKeyQSQODYSBELEHGX-UHFFFAOYSA-N
MW378.48 g/mol
LogP4.27
Rot. Bonds3

About N-[1-(4-tert-butylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-4-methyl-1,3-oxazole-5-carboxamide

N-[1-(4-tert-butylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-4-methyl-1,3-oxazole-5-carboxamide (PubChem CID 24793445) has the molecular formula C22H26N4O2 and a molecular weight of 378.48 g/mol. Its IUPAC name is N-[1-(4-tert-butylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-4-methyl-1,3-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-[1-(4-tert-butylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-4-methyl-1,3-oxazole-5-carboxamide
PubChem CID24793445
Molecular FormulaC22H26N4O2
Molecular Weight378.48 g/mol
Exact Mass378.21
IUPAC NameN-[1-(4-tert-butylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-4-methyl-1,3-oxazole-5-carboxamide
SMILESCc1ncoc1C(=O)NC1CCCc2c1cnn2-c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C22H26N4O2/c1-14-20(28-13-23-14)21(27)25-18-6-5-7-19-17(18)12-24-26(19)16-10-8-15(9-11-16)22(2,3)4/h8-13,18H,5-7H2,1-4H3,(H,25,27)
InChIKeyQSQODYSBELEHGX-UHFFFAOYSA-N
XLogP4.27
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.48
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-(4-tert-butylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-4-methyl-1,3-oxazole-5-carboxamide?
The IUPAC name of N-[1-(4-tert-butylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-4-methyl-1,3-oxazole-5-carboxamide (CID 24793445) is N-[1-(4-tert-butylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-4-methyl-1,3-oxazole-5-carboxamide.
What is the SMILES notation for N-[1-(4-tert-butylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-4-methyl-1,3-oxazole-5-carboxamide?
The canonical SMILES for N-[1-(4-tert-butylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-4-methyl-1,3-oxazole-5-carboxamide is Cc1ncoc1C(=O)NC1CCCc2c1cnn2-c1ccc(C(C)(C)C)cc1.
What is the InChIKey of N-[1-(4-tert-butylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-4-methyl-1,3-oxazole-5-carboxamide?
The InChIKey is QSQODYSBELEHGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O2/c1-14-20(28-13-23-14)21(27)25-18-6-5-7-19-17(18)12-24-26(19)16-10-8-15(9-11-16)22(2,3)4/h8-13,18H,5-7H2,1-4H3,(H,25,27).
What are the key properties of N-[1-(4-tert-butylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-4-methyl-1,3-oxazole-5-carboxamide?
N-[1-(4-tert-butylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-4-methyl-1,3-oxazole-5-carboxamide has a molecular weight of 378.48 g/mol, XLogP of 4.27, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-tert-butylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-4-methyl-1,3-oxazole-5-carboxamide is sourced from PubChem (CID 24793445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).