N-[7-[(2-methylphenyl)carbamoyl]-9H-fluoren-2-yl]-2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide

C32H29F3N4O3 — CID 46209128

IUPACN-[7-[(2-methylphenyl)carbamoyl]-9H-fluoren-2-yl]-2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide
SMILESCc1ccccc1NC(=O)c1ccc2c(c1)Cc1cc(NC(=O)c3oc(N4CCCC(C)C4)nc3C(F)(F)F)ccc1-2
InChIInChI=1S/C32H29F3N4O3/c1-18-6-5-13-39(17-18)31-38-28(32(33,34)35)27(42-31)30(41)36-23-10-12-25-22(16-23)15-21-14-20(9-11-24(21)25)29(40)37-26-8-4-3-7-19(26)2/h3-4,7-12,14,16,18H,5-6,13,15,17H2,1-2H3,(H,36,41)(H,37,40)
InChIKeyDQBIJLFTCZZRDK-UHFFFAOYSA-N
MW574.60 g/mol
LogP7.31
Rot. Bonds5

About N-[7-[(2-methylphenyl)carbamoyl]-9H-fluoren-2-yl]-2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide

N-[7-[(2-methylphenyl)carbamoyl]-9H-fluoren-2-yl]-2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide (PubChem CID 46209128) has the molecular formula C32H29F3N4O3 and a molecular weight of 574.60 g/mol. Its IUPAC name is N-[7-[(2-methylphenyl)carbamoyl]-9H-fluoren-2-yl]-2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-[7-[(2-methylphenyl)carbamoyl]-9H-fluoren-2-yl]-2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide
PubChem CID46209128
Molecular FormulaC32H29F3N4O3
Molecular Weight574.60 g/mol
Exact Mass574.22
IUPAC NameN-[7-[(2-methylphenyl)carbamoyl]-9H-fluoren-2-yl]-2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide
SMILESCc1ccccc1NC(=O)c1ccc2c(c1)Cc1cc(NC(=O)c3oc(N4CCCC(C)C4)nc3C(F)(F)F)ccc1-2
InChIInChI=1S/C32H29F3N4O3/c1-18-6-5-13-39(17-18)31-38-28(32(33,34)35)27(42-31)30(41)36-23-10-12-25-22(16-23)15-21-14-20(9-11-24(21)25)29(40)37-26-8-4-3-7-19(26)2/h3-4,7-12,14,16,18H,5-6,13,15,17H2,1-2H3,(H,36,41)(H,37,40)
InChIKeyDQBIJLFTCZZRDK-UHFFFAOYSA-N
XLogP7.31
TPSA87.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500574.60
LogP ≤ 57.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[7-[(2-methylphenyl)carbamoyl]-9H-fluoren-2-yl]-2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide?
The IUPAC name of N-[7-[(2-methylphenyl)carbamoyl]-9H-fluoren-2-yl]-2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide (CID 46209128) is N-[7-[(2-methylphenyl)carbamoyl]-9H-fluoren-2-yl]-2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide.
What is the SMILES notation for N-[7-[(2-methylphenyl)carbamoyl]-9H-fluoren-2-yl]-2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide?
The canonical SMILES for N-[7-[(2-methylphenyl)carbamoyl]-9H-fluoren-2-yl]-2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide is Cc1ccccc1NC(=O)c1ccc2c(c1)Cc1cc(NC(=O)c3oc(N4CCCC(C)C4)nc3C(F)(F)F)ccc1-2.
What is the InChIKey of N-[7-[(2-methylphenyl)carbamoyl]-9H-fluoren-2-yl]-2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide?
The InChIKey is DQBIJLFTCZZRDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H29F3N4O3/c1-18-6-5-13-39(17-18)31-38-28(32(33,34)35)27(42-31)30(41)36-23-10-12-25-22(16-23)15-21-14-20(9-11-24(21)25)29(40)37-26-8-4-3-7-19(26)2/h3-4,7-12,14,16,18H,5-6,13,15,17H2,1-2H3,(H,36,41)(H,37,40).
What are the key properties of N-[7-[(2-methylphenyl)carbamoyl]-9H-fluoren-2-yl]-2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide?
N-[7-[(2-methylphenyl)carbamoyl]-9H-fluoren-2-yl]-2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide has a molecular weight of 574.60 g/mol, XLogP of 7.31, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[7-[(2-methylphenyl)carbamoyl]-9H-fluoren-2-yl]-2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide is sourced from PubChem (CID 46209128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).