N-cyclohexyl-3-[3-(3-fluorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]-1H-indole-6-carboxamide

C26H24FN3O3 — CID 143437188

IUPACN-cyclohexyl-3-[3-(3-fluorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]-1H-indole-6-carboxamide
SMILESCc1onc(-c2cccc(F)c2)c1C(=O)c1c[nH]c2cc(C(=O)NC3CCCCC3)ccc12
InChIInChI=1S/C26H24FN3O3/c1-15-23(24(30-33-15)16-6-5-7-18(27)12-16)25(31)21-14-28-22-13-17(10-11-20(21)22)26(32)29-19-8-3-2-4-9-19/h5-7,10-14,19,28H,2-4,8-9H2,1H3,(H,29,32)
InChIKeyBUJPLSPHEJKZJR-UHFFFAOYSA-N
MW445.49 g/mol
LogP5.56
Rot. Bonds5

About N-cyclohexyl-3-[3-(3-fluorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]-1H-indole-6-carboxamide

N-cyclohexyl-3-[3-(3-fluorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]-1H-indole-6-carboxamide (PubChem CID 143437188) has the molecular formula C26H24FN3O3 and a molecular weight of 445.49 g/mol. Its IUPAC name is N-cyclohexyl-3-[3-(3-fluorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]-1H-indole-6-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-3-[3-(3-fluorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]-1H-indole-6-carboxamide
PubChem CID143437188
Molecular FormulaC26H24FN3O3
Molecular Weight445.49 g/mol
Exact Mass445.18
IUPAC NameN-cyclohexyl-3-[3-(3-fluorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]-1H-indole-6-carboxamide
SMILESCc1onc(-c2cccc(F)c2)c1C(=O)c1c[nH]c2cc(C(=O)NC3CCCCC3)ccc12
InChIInChI=1S/C26H24FN3O3/c1-15-23(24(30-33-15)16-6-5-7-18(27)12-16)25(31)21-14-28-22-13-17(10-11-20(21)22)26(32)29-19-8-3-2-4-9-19/h5-7,10-14,19,28H,2-4,8-9H2,1H3,(H,29,32)
InChIKeyBUJPLSPHEJKZJR-UHFFFAOYSA-N
XLogP5.56
TPSA87.99 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500445.49
LogP ≤ 55.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-cyclohexyl-3-[3-(3-fluorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]-1H-indole-6-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-3-[3-(3-fluorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]-1H-indole-6-carboxamide?
The IUPAC name of N-cyclohexyl-3-[3-(3-fluorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]-1H-indole-6-carboxamide (CID 143437188) is N-cyclohexyl-3-[3-(3-fluorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]-1H-indole-6-carboxamide.
What is the SMILES notation for N-cyclohexyl-3-[3-(3-fluorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]-1H-indole-6-carboxamide?
The canonical SMILES for N-cyclohexyl-3-[3-(3-fluorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]-1H-indole-6-carboxamide is Cc1onc(-c2cccc(F)c2)c1C(=O)c1c[nH]c2cc(C(=O)NC3CCCCC3)ccc12.
What is the InChIKey of N-cyclohexyl-3-[3-(3-fluorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]-1H-indole-6-carboxamide?
The InChIKey is BUJPLSPHEJKZJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24FN3O3/c1-15-23(24(30-33-15)16-6-5-7-18(27)12-16)25(31)21-14-28-22-13-17(10-11-20(21)22)26(32)29-19-8-3-2-4-9-19/h5-7,10-14,19,28H,2-4,8-9H2,1H3,(H,29,32).
What are the key properties of N-cyclohexyl-3-[3-(3-fluorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]-1H-indole-6-carboxamide?
N-cyclohexyl-3-[3-(3-fluorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]-1H-indole-6-carboxamide has a molecular weight of 445.49 g/mol, XLogP of 5.56, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-3-[3-(3-fluorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]-1H-indole-6-carboxamide is sourced from PubChem (CID 143437188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).