N-[4-[6-[(2-fluorophenyl)carbamoyl]-3-pyridinyl]phenyl]-2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide

C29H25F4N5O3 — CID 67293791

IUPACN-[4-[6-[(2-fluorophenyl)carbamoyl]-3-pyridinyl]phenyl]-2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide
SMILESCC1CCCN(c2nc(C(F)(F)F)c(C(=O)Nc3ccc(-c4ccc(C(=O)Nc5ccccc5F)nc4)cc3)o2)C1
InChIInChI=1S/C29H25F4N5O3/c1-17-5-4-14-38(16-17)28-37-25(29(31,32)33)24(41-28)27(40)35-20-11-8-18(9-12-20)19-10-13-23(34-15-19)26(39)36-22-7-3-2-6-21(22)30/h2-3,6-13,15,17H,4-5,14,16H2,1H3,(H,35,40)(H,36,39)
InChIKeyUENNYBWRZCGYOI-UHFFFAOYSA-N
MW567.54 g/mol
LogP6.64
Rot. Bonds6

About N-[4-[6-[(2-fluorophenyl)carbamoyl]-3-pyridinyl]phenyl]-2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide

N-[4-[6-[(2-fluorophenyl)carbamoyl]-3-pyridinyl]phenyl]-2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide (PubChem CID 67293791) has the molecular formula C29H25F4N5O3 and a molecular weight of 567.54 g/mol. Its IUPAC name is N-[4-[6-[(2-fluorophenyl)carbamoyl]-3-pyridinyl]phenyl]-2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-[4-[6-[(2-fluorophenyl)carbamoyl]-3-pyridinyl]phenyl]-2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide
PubChem CID67293791
Molecular FormulaC29H25F4N5O3
Molecular Weight567.54 g/mol
Exact Mass567.19
IUPAC NameN-[4-[6-[(2-fluorophenyl)carbamoyl]-3-pyridinyl]phenyl]-2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide
SMILESCC1CCCN(c2nc(C(F)(F)F)c(C(=O)Nc3ccc(-c4ccc(C(=O)Nc5ccccc5F)nc4)cc3)o2)C1
InChIInChI=1S/C29H25F4N5O3/c1-17-5-4-14-38(16-17)28-37-25(29(31,32)33)24(41-28)27(40)35-20-11-8-18(9-12-20)19-10-13-23(34-15-19)26(39)36-22-7-3-2-6-21(22)30/h2-3,6-13,15,17H,4-5,14,16H2,1H3,(H,35,40)(H,36,39)
InChIKeyUENNYBWRZCGYOI-UHFFFAOYSA-N
XLogP6.64
TPSA100.36 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500567.54
LogP ≤ 56.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[4-[6-[(2-fluorophenyl)carbamoyl]-3-pyridinyl]phenyl]-2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide with MolForge

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

Launch Full Analysis

Related Compounds

2-phenyl-N-(6-(piperazin-1-yl)pyridin-3-yl)-4-(trifluoromethyl)oxazole-5-carboxamide
CID 44528432
N-(6-(4-(2-fluorophenylcarbamoyl)piperazin-1-yl)pyridin-3-yl)-2-(piperidin-1-yl)-4-(trifluoromethyl)oxazole-5-carboxamide
CID 67387006
N-[6-(4-phenylpiperazin-1-yl)pyridin-3-yl]-2-piperidin-1-yl-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide
CID 67390528
N-[6-[4-(cyclopentanecarbonyl)piperazin-1-yl]pyridin-3-yl]-2-piperidin-1-yl-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide
CID 68236004
N-[6-(4-acetylpiperazin-1-yl)-3-pyridinyl]-2-phenyl-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide
CID 44528443
2-(4-fluorophenyl)-4-propyl-N-[(2R)-1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-yl]-1,3-oxazole-5-carboxamide
CID 16069006
N-[6-(4-phenylpiperidin-1-yl)pyridin-3-yl]-2-piperidin-1-yl-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide
CID 67389970
N-[6-[4-(2-fluorobenzoyl)piperazin-1-yl]pyridin-3-yl]-2-piperidin-1-yl-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide
CID 68235802
2-piperidin-1-yl-N-[6-(4-propanoylpiperazin-1-yl)pyridin-3-yl]-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide
CID 68236199
ALP-POS-305f6ec3-7
CID 156906748
ALP-POS-305f6ec3-19
CID 156906759
2-(4-Fluorophenyl)-4-propyl-oxazole-5-carboxylic acid [1-methyl-2-(4-pyridin-2-yl-piperazin-1-yl)-ethyl]-amide
CID 46231661

Frequently Asked Questions

What is the IUPAC name of N-[4-[6-[(2-fluorophenyl)carbamoyl]-3-pyridinyl]phenyl]-2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide?
The IUPAC name of N-[4-[6-[(2-fluorophenyl)carbamoyl]-3-pyridinyl]phenyl]-2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide (CID 67293791) is N-[4-[6-[(2-fluorophenyl)carbamoyl]-3-pyridinyl]phenyl]-2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide.
What is the SMILES notation for N-[4-[6-[(2-fluorophenyl)carbamoyl]-3-pyridinyl]phenyl]-2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide?
The canonical SMILES for N-[4-[6-[(2-fluorophenyl)carbamoyl]-3-pyridinyl]phenyl]-2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide is CC1CCCN(c2nc(C(F)(F)F)c(C(=O)Nc3ccc(-c4ccc(C(=O)Nc5ccccc5F)nc4)cc3)o2)C1.
What is the InChIKey of N-[4-[6-[(2-fluorophenyl)carbamoyl]-3-pyridinyl]phenyl]-2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide?
The InChIKey is UENNYBWRZCGYOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H25F4N5O3/c1-17-5-4-14-38(16-17)28-37-25(29(31,32)33)24(41-28)27(40)35-20-11-8-18(9-12-20)19-10-13-23(34-15-19)26(39)36-22-7-3-2-6-21(22)30/h2-3,6-13,15,17H,4-5,14,16H2,1H3,(H,35,40)(H,36,39).
What are the key properties of N-[4-[6-[(2-fluorophenyl)carbamoyl]-3-pyridinyl]phenyl]-2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide?
N-[4-[6-[(2-fluorophenyl)carbamoyl]-3-pyridinyl]phenyl]-2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide has a molecular weight of 567.54 g/mol, XLogP of 6.64, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[6-[(2-fluorophenyl)carbamoyl]-3-pyridinyl]phenyl]-2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide is sourced from PubChem (CID 67293791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).