N-(2-methylphenyl)-7-[2-[2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]-2-oxoethyl]-9H-fluorene-2-carboxamide

C33H30F3N3O3 — CID 58428949

IUPACN-(2-methylphenyl)-7-[2-[2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]-2-oxoethyl]-9H-fluorene-2-carboxamide
SMILESCc1ccccc1NC(=O)c1ccc2c(c1)Cc1cc(CC(=O)c3oc(N4CCCC(C)C4)nc3C(F)(F)F)ccc1-2
InChIInChI=1S/C33H30F3N3O3/c1-19-6-5-13-39(18-19)32-38-30(33(34,35)36)29(42-32)28(40)15-21-9-11-25-23(14-21)17-24-16-22(10-12-26(24)25)31(41)37-27-8-4-3-7-20(27)2/h3-4,7-12,14,16,19H,5-6,13,15,17-18H2,1-2H3,(H,37,41)
InChIKeySEIRGIPAAYKSJZ-UHFFFAOYSA-N
MW573.62 g/mol
LogP7.49
Rot. Bonds6

About N-(2-methylphenyl)-7-[2-[2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]-2-oxoethyl]-9H-fluorene-2-carboxamide

N-(2-methylphenyl)-7-[2-[2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]-2-oxoethyl]-9H-fluorene-2-carboxamide (PubChem CID 58428949) has the molecular formula C33H30F3N3O3 and a molecular weight of 573.62 g/mol. Its IUPAC name is N-(2-methylphenyl)-7-[2-[2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]-2-oxoethyl]-9H-fluorene-2-carboxamide.

Molecular Properties

Compound NameN-(2-methylphenyl)-7-[2-[2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]-2-oxoethyl]-9H-fluorene-2-carboxamide
PubChem CID58428949
Molecular FormulaC33H30F3N3O3
Molecular Weight573.62 g/mol
Exact Mass573.22
IUPAC NameN-(2-methylphenyl)-7-[2-[2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]-2-oxoethyl]-9H-fluorene-2-carboxamide
SMILESCc1ccccc1NC(=O)c1ccc2c(c1)Cc1cc(CC(=O)c3oc(N4CCCC(C)C4)nc3C(F)(F)F)ccc1-2
InChIInChI=1S/C33H30F3N3O3/c1-19-6-5-13-39(18-19)32-38-30(33(34,35)36)29(42-32)28(40)15-21-9-11-25-23(14-21)17-24-16-22(10-12-26(24)25)31(41)37-27-8-4-3-7-20(27)2/h3-4,7-12,14,16,19H,5-6,13,15,17-18H2,1-2H3,(H,37,41)
InChIKeySEIRGIPAAYKSJZ-UHFFFAOYSA-N
XLogP7.49
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500573.62
LogP ≤ 57.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[7-[(2-methylphenyl)carbamoyl]-9H-fluoren-2-yl]-2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide
CID 46209128
2-[4-[4-[[2-(4-Phenylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carbonyl]amino]phenyl]cyclohexyl]acetic acid
CID 46212578
7-[[2-(4-phenylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carbonyl]amino]-9H-fluorene-2-carboxylic acid
CID 57485457
N-(2-methylphenyl)-3-[4-[2-oxo-2-[2-(4-phenylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethyl]phenyl]benzamide
CID 58428470
N-(2-methylphenyl)-2-[4-[4-[2-oxo-2-[2-(4-phenylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethyl]phenyl]phenyl]acetamide
CID 58428527
2-(3-methylpiperidin-1-yl)-N-[4-[4-(3-oxobutylcarbamoyl)phenyl]phenyl]-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide
CID 58428546
2-[4-[4-[2-(2-Fluorophenyl)acetyl]phenyl]phenyl]-1-[2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethanone
CID 58428567
2-[4-[4-[2-(2-Methylphenyl)acetyl]phenyl]phenyl]-1-[2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethanone
CID 58428596
1-[4-[4-[2-[2-(3-Methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]-2-oxoethyl]phenyl]phenyl]-2-phenylethanone
CID 58428604
2-[4-[4-[2-(2-Methylphenyl)acetyl]phenyl]phenyl]-1-[2-(4-phenylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethanone
CID 58428633
N-[4-[4-(2-oxopropyl)cyclohexyl]phenyl]-2-(4-phenylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide
CID 58428722
2-[4-[6-[2-(2-Methylphenyl)acetyl]-3-pyridinyl]phenyl]-1-[2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethanone
CID 58428874

Frequently Asked Questions

What is the IUPAC name of N-(2-methylphenyl)-7-[2-[2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]-2-oxoethyl]-9H-fluorene-2-carboxamide?
The IUPAC name of N-(2-methylphenyl)-7-[2-[2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]-2-oxoethyl]-9H-fluorene-2-carboxamide (CID 58428949) is N-(2-methylphenyl)-7-[2-[2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]-2-oxoethyl]-9H-fluorene-2-carboxamide.
What is the SMILES notation for N-(2-methylphenyl)-7-[2-[2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]-2-oxoethyl]-9H-fluorene-2-carboxamide?
The canonical SMILES for N-(2-methylphenyl)-7-[2-[2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]-2-oxoethyl]-9H-fluorene-2-carboxamide is Cc1ccccc1NC(=O)c1ccc2c(c1)Cc1cc(CC(=O)c3oc(N4CCCC(C)C4)nc3C(F)(F)F)ccc1-2.
What is the InChIKey of N-(2-methylphenyl)-7-[2-[2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]-2-oxoethyl]-9H-fluorene-2-carboxamide?
The InChIKey is SEIRGIPAAYKSJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H30F3N3O3/c1-19-6-5-13-39(18-19)32-38-30(33(34,35)36)29(42-32)28(40)15-21-9-11-25-23(14-21)17-24-16-22(10-12-26(24)25)31(41)37-27-8-4-3-7-20(27)2/h3-4,7-12,14,16,19H,5-6,13,15,17-18H2,1-2H3,(H,37,41).
What are the key properties of N-(2-methylphenyl)-7-[2-[2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]-2-oxoethyl]-9H-fluorene-2-carboxamide?
N-(2-methylphenyl)-7-[2-[2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]-2-oxoethyl]-9H-fluorene-2-carboxamide has a molecular weight of 573.62 g/mol, XLogP of 7.49, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylphenyl)-7-[2-[2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]-2-oxoethyl]-9H-fluorene-2-carboxamide is sourced from PubChem (CID 58428949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).