N-[[2-(4-fluorophenyl)-3-methyl-1H-indol-5-yl]methyl]-5-methyl-1,2-oxazole-3-carboxamide

C21H18FN3O2 — CID 56865929

IUPACN-[[2-(4-fluorophenyl)-3-methyl-1H-indol-5-yl]methyl]-5-methyl-1,2-oxazole-3-carboxamide
SMILESCc1cc(C(=O)NCc2ccc3[nH]c(-c4ccc(F)cc4)c(C)c3c2)no1
InChIInChI=1S/C21H18FN3O2/c1-12-9-19(25-27-12)21(26)23-11-14-3-8-18-17(10-14)13(2)20(24-18)15-4-6-16(22)7-5-15/h3-10,24H,11H2,1-2H3,(H,23,26)
InChIKeyIQPUXISBHJIWOA-UHFFFAOYSA-N
MW363.39 g/mol
LogP4.51
Rot. Bonds4

About N-[[2-(4-fluorophenyl)-3-methyl-1H-indol-5-yl]methyl]-5-methyl-1,2-oxazole-3-carboxamide

N-[[2-(4-fluorophenyl)-3-methyl-1H-indol-5-yl]methyl]-5-methyl-1,2-oxazole-3-carboxamide (PubChem CID 56865929) has the molecular formula C21H18FN3O2 and a molecular weight of 363.39 g/mol. Its IUPAC name is N-[[2-(4-fluorophenyl)-3-methyl-1H-indol-5-yl]methyl]-5-methyl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[[2-(4-fluorophenyl)-3-methyl-1H-indol-5-yl]methyl]-5-methyl-1,2-oxazole-3-carboxamide
PubChem CID56865929
Molecular FormulaC21H18FN3O2
Molecular Weight363.39 g/mol
Exact Mass363.14
IUPAC NameN-[[2-(4-fluorophenyl)-3-methyl-1H-indol-5-yl]methyl]-5-methyl-1,2-oxazole-3-carboxamide
SMILESCc1cc(C(=O)NCc2ccc3[nH]c(-c4ccc(F)cc4)c(C)c3c2)no1
InChIInChI=1S/C21H18FN3O2/c1-12-9-19(25-27-12)21(26)23-11-14-3-8-18-17(10-14)13(2)20(24-18)15-4-6-16(22)7-5-15/h3-10,24H,11H2,1-2H3,(H,23,26)
InChIKeyIQPUXISBHJIWOA-UHFFFAOYSA-N
XLogP4.51
TPSA70.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.39
LogP ≤ 54.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[2-(4-fluorophenyl)-3-methyl-1H-indol-5-yl]methyl]-5-methyl-1H-pyrazole-3-carboxamide
CID 56868490
N-[[2-(4-fluorophenyl)-3-methyl-1H-indol-5-yl]methyl]-2-hydroxypropanamide
CID 56874089
(2R)-N-[[2-(4-fluorophenyl)-3-methyl-1H-indol-5-yl]methyl]-2-methyl-3-morpholin-4-ylpropanamide
CID 96574491
N-[[4-(difluoromethoxy)phenyl]methyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 47109455
5-(1,3-benzodioxol-5-yl)-N-[(4-fluorophenyl)methyl]-1,2-oxazole-3-carboxamide
CID 15993268
2-N-[[2-(4-fluorophenyl)-3-methyl-1H-indol-5-yl]methyl]-4-N-methylpyrimidine-2,4-diamine
CID 56863644
N-[(4-fluorophenyl)methyl]-2-[(5-methyl-1,2-oxazol-3-yl)amino]acetamide
CID 108997916
N-[[2-(2-fluorophenyl)-3-methyl-1H-indol-5-yl]methyl]-6-methyl-4-oxo-1H-pyridine-3-carboxamide
CID 56862846
N-[(1-ethylpyrazol-4-yl)methyl]-5-(4-fluorophenyl)-1,2-oxazole-3-carboxamide
CID 19290726
5-methyl-N-[(3-methylthiophen-2-yl)methyl]-1,2-oxazole-3-carboxamide
CID 47163642
N-[2-(3-fluorophenyl)ethyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 47009713
3-(4-fluorophenyl)-N-[(5-methyl-1,2-oxazol-3-yl)methyl]propanamide
CID 47729327

Frequently Asked Questions

What is the IUPAC name of N-[[2-(4-fluorophenyl)-3-methyl-1H-indol-5-yl]methyl]-5-methyl-1,2-oxazole-3-carboxamide?
The IUPAC name of N-[[2-(4-fluorophenyl)-3-methyl-1H-indol-5-yl]methyl]-5-methyl-1,2-oxazole-3-carboxamide (CID 56865929) is N-[[2-(4-fluorophenyl)-3-methyl-1H-indol-5-yl]methyl]-5-methyl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-[[2-(4-fluorophenyl)-3-methyl-1H-indol-5-yl]methyl]-5-methyl-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[[2-(4-fluorophenyl)-3-methyl-1H-indol-5-yl]methyl]-5-methyl-1,2-oxazole-3-carboxamide is Cc1cc(C(=O)NCc2ccc3[nH]c(-c4ccc(F)cc4)c(C)c3c2)no1.
What is the InChIKey of N-[[2-(4-fluorophenyl)-3-methyl-1H-indol-5-yl]methyl]-5-methyl-1,2-oxazole-3-carboxamide?
The InChIKey is IQPUXISBHJIWOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18FN3O2/c1-12-9-19(25-27-12)21(26)23-11-14-3-8-18-17(10-14)13(2)20(24-18)15-4-6-16(22)7-5-15/h3-10,24H,11H2,1-2H3,(H,23,26).
What are the key properties of N-[[2-(4-fluorophenyl)-3-methyl-1H-indol-5-yl]methyl]-5-methyl-1,2-oxazole-3-carboxamide?
N-[[2-(4-fluorophenyl)-3-methyl-1H-indol-5-yl]methyl]-5-methyl-1,2-oxazole-3-carboxamide has a molecular weight of 363.39 g/mol, XLogP of 4.51, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(4-fluorophenyl)-3-methyl-1H-indol-5-yl]methyl]-5-methyl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 56865929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).