N-(2-fluorophenyl)-3-[5-[2-[2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]-2-oxoethyl]indol-1-yl]propanamide

C29H28F4N4O3 — CID 58429187

IUPACN-(2-fluorophenyl)-3-[5-[2-[2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]-2-oxoethyl]indol-1-yl]propanamide
SMILESCC1CCCN(c2nc(C(F)(F)F)c(C(=O)Cc3ccc4c(ccn4CCC(=O)Nc4ccccc4F)c3)o2)C1
InChIInChI=1S/C29H28F4N4O3/c1-18-5-4-12-37(17-18)28-35-27(29(31,32)33)26(40-28)24(38)16-19-8-9-23-20(15-19)10-13-36(23)14-11-25(39)34-22-7-3-2-6-21(22)30/h2-3,6-10,13,15,18H,4-5,11-12,14,16-17H2,1H3,(H,34,39)
InChIKeyOMDXPFWICKMUFT-UHFFFAOYSA-N
MW556.56 g/mol
LogP6.48
Rot. Bonds8

About N-(2-fluorophenyl)-3-[5-[2-[2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]-2-oxoethyl]indol-1-yl]propanamide

N-(2-fluorophenyl)-3-[5-[2-[2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]-2-oxoethyl]indol-1-yl]propanamide (PubChem CID 58429187) has the molecular formula C29H28F4N4O3 and a molecular weight of 556.56 g/mol. Its IUPAC name is N-(2-fluorophenyl)-3-[5-[2-[2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]-2-oxoethyl]indol-1-yl]propanamide.

Molecular Properties

Compound NameN-(2-fluorophenyl)-3-[5-[2-[2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]-2-oxoethyl]indol-1-yl]propanamide
PubChem CID58429187
Molecular FormulaC29H28F4N4O3
Molecular Weight556.56 g/mol
Exact Mass556.21
IUPAC NameN-(2-fluorophenyl)-3-[5-[2-[2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]-2-oxoethyl]indol-1-yl]propanamide
SMILESCC1CCCN(c2nc(C(F)(F)F)c(C(=O)Cc3ccc4c(ccn4CCC(=O)Nc4ccccc4F)c3)o2)C1
InChIInChI=1S/C29H28F4N4O3/c1-18-5-4-12-37(17-18)28-35-27(29(31,32)33)26(40-28)24(38)16-19-8-9-23-20(15-19)10-13-36(23)14-11-25(39)34-22-7-3-2-6-21(22)30/h2-3,6-10,13,15,18H,4-5,11-12,14,16-17H2,1H3,(H,34,39)
InChIKeyOMDXPFWICKMUFT-UHFFFAOYSA-N
XLogP6.48
TPSA80.37 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500556.56
LogP ≤ 56.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(2-fluorophenyl)-3-[5-[2-[2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]-2-oxoethyl]indol-1-yl]propanamide?
The IUPAC name of N-(2-fluorophenyl)-3-[5-[2-[2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]-2-oxoethyl]indol-1-yl]propanamide (CID 58429187) is N-(2-fluorophenyl)-3-[5-[2-[2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]-2-oxoethyl]indol-1-yl]propanamide.
What is the SMILES notation for N-(2-fluorophenyl)-3-[5-[2-[2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]-2-oxoethyl]indol-1-yl]propanamide?
The canonical SMILES for N-(2-fluorophenyl)-3-[5-[2-[2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]-2-oxoethyl]indol-1-yl]propanamide is CC1CCCN(c2nc(C(F)(F)F)c(C(=O)Cc3ccc4c(ccn4CCC(=O)Nc4ccccc4F)c3)o2)C1.
What is the InChIKey of N-(2-fluorophenyl)-3-[5-[2-[2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]-2-oxoethyl]indol-1-yl]propanamide?
The InChIKey is OMDXPFWICKMUFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H28F4N4O3/c1-18-5-4-12-37(17-18)28-35-27(29(31,32)33)26(40-28)24(38)16-19-8-9-23-20(15-19)10-13-36(23)14-11-25(39)34-22-7-3-2-6-21(22)30/h2-3,6-10,13,15,18H,4-5,11-12,14,16-17H2,1H3,(H,34,39).
What are the key properties of N-(2-fluorophenyl)-3-[5-[2-[2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]-2-oxoethyl]indol-1-yl]propanamide?
N-(2-fluorophenyl)-3-[5-[2-[2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]-2-oxoethyl]indol-1-yl]propanamide has a molecular weight of 556.56 g/mol, XLogP of 6.48, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluorophenyl)-3-[5-[2-[2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]-2-oxoethyl]indol-1-yl]propanamide is sourced from PubChem (CID 58429187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).