N-[2-cyclohexyl-6-(2-hydroxypropan-2-yl)indazol-5-yl]-2-methyl-1,3-oxazole-4-carboxamide

C21H26N4O3 — CID 164567526

IUPACN-[2-cyclohexyl-6-(2-hydroxypropan-2-yl)indazol-5-yl]-2-methyl-1,3-oxazole-4-carboxamide
SMILESCc1nc(C(=O)Nc2cc3cn(C4CCCCC4)nc3cc2C(C)(C)O)co1
InChIInChI=1S/C21H26N4O3/c1-13-22-19(12-28-13)20(26)23-18-9-14-11-25(15-7-5-4-6-8-15)24-17(14)10-16(18)21(2,3)27/h9-12,15,27H,4-8H2,1-3H3,(H,23,26)
InChIKeyMXKXJDMZROZQLK-UHFFFAOYSA-N
MW382.46 g/mol
LogP4.32
Rot. Bonds4

About N-[2-cyclohexyl-6-(2-hydroxypropan-2-yl)indazol-5-yl]-2-methyl-1,3-oxazole-4-carboxamide

N-[2-cyclohexyl-6-(2-hydroxypropan-2-yl)indazol-5-yl]-2-methyl-1,3-oxazole-4-carboxamide (PubChem CID 164567526) has the molecular formula C21H26N4O3 and a molecular weight of 382.46 g/mol. Its IUPAC name is N-[2-cyclohexyl-6-(2-hydroxypropan-2-yl)indazol-5-yl]-2-methyl-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-cyclohexyl-6-(2-hydroxypropan-2-yl)indazol-5-yl]-2-methyl-1,3-oxazole-4-carboxamide
PubChem CID164567526
Molecular FormulaC21H26N4O3
Molecular Weight382.46 g/mol
Exact Mass382.20
IUPAC NameN-[2-cyclohexyl-6-(2-hydroxypropan-2-yl)indazol-5-yl]-2-methyl-1,3-oxazole-4-carboxamide
SMILESCc1nc(C(=O)Nc2cc3cn(C4CCCCC4)nc3cc2C(C)(C)O)co1
InChIInChI=1S/C21H26N4O3/c1-13-22-19(12-28-13)20(26)23-18-9-14-11-25(15-7-5-4-6-8-15)24-17(14)10-16(18)21(2,3)27/h9-12,15,27H,4-8H2,1-3H3,(H,23,26)
InChIKeyMXKXJDMZROZQLK-UHFFFAOYSA-N
XLogP4.32
TPSA93.18 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.46
LogP ≤ 54.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-cyclohexyl-6-(2-hydroxypropan-2-yl)indazol-5-yl]-2-methyl-1,3-oxazole-4-carboxamide?
The IUPAC name of N-[2-cyclohexyl-6-(2-hydroxypropan-2-yl)indazol-5-yl]-2-methyl-1,3-oxazole-4-carboxamide (CID 164567526) is N-[2-cyclohexyl-6-(2-hydroxypropan-2-yl)indazol-5-yl]-2-methyl-1,3-oxazole-4-carboxamide.
What is the SMILES notation for N-[2-cyclohexyl-6-(2-hydroxypropan-2-yl)indazol-5-yl]-2-methyl-1,3-oxazole-4-carboxamide?
The canonical SMILES for N-[2-cyclohexyl-6-(2-hydroxypropan-2-yl)indazol-5-yl]-2-methyl-1,3-oxazole-4-carboxamide is Cc1nc(C(=O)Nc2cc3cn(C4CCCCC4)nc3cc2C(C)(C)O)co1.
What is the InChIKey of N-[2-cyclohexyl-6-(2-hydroxypropan-2-yl)indazol-5-yl]-2-methyl-1,3-oxazole-4-carboxamide?
The InChIKey is MXKXJDMZROZQLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O3/c1-13-22-19(12-28-13)20(26)23-18-9-14-11-25(15-7-5-4-6-8-15)24-17(14)10-16(18)21(2,3)27/h9-12,15,27H,4-8H2,1-3H3,(H,23,26).
What are the key properties of N-[2-cyclohexyl-6-(2-hydroxypropan-2-yl)indazol-5-yl]-2-methyl-1,3-oxazole-4-carboxamide?
N-[2-cyclohexyl-6-(2-hydroxypropan-2-yl)indazol-5-yl]-2-methyl-1,3-oxazole-4-carboxamide has a molecular weight of 382.46 g/mol, XLogP of 4.32, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-cyclohexyl-6-(2-hydroxypropan-2-yl)indazol-5-yl]-2-methyl-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 164567526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).