2-(1H-indol-3-yl)-N-[[4-[1-methyl-4-(3-methyl-1,2-oxazol-5-yl)pyrazol-3-yl]cyclohexyl]methyl]acetamide

C25H29N5O2 — CID 98134703

IUPAC2-(1H-indol-3-yl)-N-[[4-[1-methyl-4-(3-methyl-1,2-oxazol-5-yl)pyrazol-3-yl]cyclohexyl]methyl]acetamide
SMILESCc1cc(-c2cn(C)nc2C2CCC(CNC(=O)Cc3c[nH]c4ccccc34)CC2)on1
InChIInChI=1S/C25H29N5O2/c1-16-11-23(32-29-16)21-15-30(2)28-25(21)18-9-7-17(8-10-18)13-27-24(31)12-19-14-26-22-6-4-3-5-20(19)22/h3-6,11,14-15,17-18,26H,7-10,12-13H2,1-2H3,(H,27,31)
InChIKeyFZKRQTUXDHFXRL-UHFFFAOYSA-N
MW431.54 g/mol
LogP4.50
Rot. Bonds6

About 2-(1H-indol-3-yl)-N-[[4-[1-methyl-4-(3-methyl-1,2-oxazol-5-yl)pyrazol-3-yl]cyclohexyl]methyl]acetamide

2-(1H-indol-3-yl)-N-[[4-[1-methyl-4-(3-methyl-1,2-oxazol-5-yl)pyrazol-3-yl]cyclohexyl]methyl]acetamide (PubChem CID 98134703) has the molecular formula C25H29N5O2 and a molecular weight of 431.54 g/mol. Its IUPAC name is 2-(1H-indol-3-yl)-N-[[4-[1-methyl-4-(3-methyl-1,2-oxazol-5-yl)pyrazol-3-yl]cyclohexyl]methyl]acetamide.

Molecular Properties

Compound Name2-(1H-indol-3-yl)-N-[[4-[1-methyl-4-(3-methyl-1,2-oxazol-5-yl)pyrazol-3-yl]cyclohexyl]methyl]acetamide
PubChem CID98134703
Molecular FormulaC25H29N5O2
Molecular Weight431.54 g/mol
Exact Mass431.23
IUPAC Name2-(1H-indol-3-yl)-N-[[4-[1-methyl-4-(3-methyl-1,2-oxazol-5-yl)pyrazol-3-yl]cyclohexyl]methyl]acetamide
SMILESCc1cc(-c2cn(C)nc2C2CCC(CNC(=O)Cc3c[nH]c4ccccc34)CC2)on1
InChIInChI=1S/C25H29N5O2/c1-16-11-23(32-29-16)21-15-30(2)28-25(21)18-9-7-17(8-10-18)13-27-24(31)12-19-14-26-22-6-4-3-5-20(19)22/h3-6,11,14-15,17-18,26H,7-10,12-13H2,1-2H3,(H,27,31)
InChIKeyFZKRQTUXDHFXRL-UHFFFAOYSA-N
XLogP4.50
TPSA88.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.54
LogP ≤ 54.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(1H-indol-3-yl)-N-[[4-[1-methyl-4-(3-methyl-1,2-oxazol-5-yl)pyrazol-3-yl]cyclohexyl]methyl]acetamide?
The IUPAC name of 2-(1H-indol-3-yl)-N-[[4-[1-methyl-4-(3-methyl-1,2-oxazol-5-yl)pyrazol-3-yl]cyclohexyl]methyl]acetamide (CID 98134703) is 2-(1H-indol-3-yl)-N-[[4-[1-methyl-4-(3-methyl-1,2-oxazol-5-yl)pyrazol-3-yl]cyclohexyl]methyl]acetamide.
What is the SMILES notation for 2-(1H-indol-3-yl)-N-[[4-[1-methyl-4-(3-methyl-1,2-oxazol-5-yl)pyrazol-3-yl]cyclohexyl]methyl]acetamide?
The canonical SMILES for 2-(1H-indol-3-yl)-N-[[4-[1-methyl-4-(3-methyl-1,2-oxazol-5-yl)pyrazol-3-yl]cyclohexyl]methyl]acetamide is Cc1cc(-c2cn(C)nc2C2CCC(CNC(=O)Cc3c[nH]c4ccccc34)CC2)on1.
What is the InChIKey of 2-(1H-indol-3-yl)-N-[[4-[1-methyl-4-(3-methyl-1,2-oxazol-5-yl)pyrazol-3-yl]cyclohexyl]methyl]acetamide?
The InChIKey is FZKRQTUXDHFXRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N5O2/c1-16-11-23(32-29-16)21-15-30(2)28-25(21)18-9-7-17(8-10-18)13-27-24(31)12-19-14-26-22-6-4-3-5-20(19)22/h3-6,11,14-15,17-18,26H,7-10,12-13H2,1-2H3,(H,27,31).
What are the key properties of 2-(1H-indol-3-yl)-N-[[4-[1-methyl-4-(3-methyl-1,2-oxazol-5-yl)pyrazol-3-yl]cyclohexyl]methyl]acetamide?
2-(1H-indol-3-yl)-N-[[4-[1-methyl-4-(3-methyl-1,2-oxazol-5-yl)pyrazol-3-yl]cyclohexyl]methyl]acetamide has a molecular weight of 431.54 g/mol, XLogP of 4.50, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-indol-3-yl)-N-[[4-[1-methyl-4-(3-methyl-1,2-oxazol-5-yl)pyrazol-3-yl]cyclohexyl]methyl]acetamide is sourced from PubChem (CID 98134703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).