N-[6-[4-(cyclopropanecarbonyl)piperazin-1-yl]-3-pyridinyl]-2-phenyl-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide

C24H22F3N5O3 — CID 52936731

IUPACN-[6-[4-(cyclopropanecarbonyl)piperazin-1-yl]-3-pyridinyl]-2-phenyl-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide
SMILESO=C(Nc1ccc(N2CCN(C(=O)C3CC3)CC2)nc1)c1nc(-c2ccccc2)oc1C(F)(F)F
InChIInChI=1S/C24H22F3N5O3/c25-24(26,27)20-19(30-22(35-20)15-4-2-1-3-5-15)21(33)29-17-8-9-18(28-14-17)31-10-12-32(13-11-31)23(34)16-6-7-16/h1-5,8-9,14,16H,6-7,10-13H2,(H,29,33)
InChIKeyXNPROQNSSCAJLO-UHFFFAOYSA-N
MW485.47 g/mol
LogP4.07
Rot. Bonds5

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

N-[6-[4-(cyclopropanecarbonyl)piperazin-1-yl]-3-pyridinyl]-2-phenyl-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide (PubChem CID 52936731) has the molecular formula C24H22F3N5O3 and a molecular weight of 485.47 g/mol. Its IUPAC name is N-[6-[4-(cyclopropanecarbonyl)piperazin-1-yl]-3-pyridinyl]-2-phenyl-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[6-[4-(cyclopropanecarbonyl)piperazin-1-yl]-3-pyridinyl]-2-phenyl-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide
PubChem CID52936731
Molecular FormulaC24H22F3N5O3
Molecular Weight485.47 g/mol
Exact Mass485.17
IUPAC NameN-[6-[4-(cyclopropanecarbonyl)piperazin-1-yl]-3-pyridinyl]-2-phenyl-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide
SMILESO=C(Nc1ccc(N2CCN(C(=O)C3CC3)CC2)nc1)c1nc(-c2ccccc2)oc1C(F)(F)F
InChIInChI=1S/C24H22F3N5O3/c25-24(26,27)20-19(30-22(35-20)15-4-2-1-3-5-15)21(33)29-17-8-9-18(28-14-17)31-10-12-32(13-11-31)23(34)16-6-7-16/h1-5,8-9,14,16H,6-7,10-13H2,(H,29,33)
InChIKeyXNPROQNSSCAJLO-UHFFFAOYSA-N
XLogP4.07
TPSA91.57 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.47
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[6-[4-(cyclopropanecarbonyl)piperazin-1-yl]-3-pyridinyl]-2-phenyl-5-(trifluoromethyl)-1,3-oxazole-4-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

Dgat1-IN-3
CID 16757107
N,N-dimethyl-2-[3-[4-[2-(1,3-oxazol-2-yl)phenyl]piperazin-1-yl]propylamino]pyridine-3-carboxamide
CID 10526831
2-phenyl-N-(6-(piperazin-1-yl)pyridin-3-yl)-4-(trifluoromethyl)oxazole-5-carboxamide
CID 44528432
(3R,5S)-N-[(6-amino-2-pyridinyl)methyl]-1-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]-5-phenylpiperidine-3-carboxamide
CID 53233020
2-[[5-Methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methylsulfanyl]-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone
CID 5307495
2-(4-fluorophenyl)-4-propyl-N-[(2R)-1-(4-pyrazin-2-ylpiperazin-1-yl)propan-2-yl]-1,3-oxazole-5-carboxamide
CID 16069007
N-[6-(5-methyl-2-furyl)-5-pyridin-4-ylpyrazin-2-yl]cyclopropanecarboxamide
CID 16071777
N-(6-((2-Methoxyethyl)(methyl)amino)pyridin-3-yl)-2-phenyl-4-(trifluoromethyl)oxazole-5-carboxamide
CID 16112851
2-Phenyl-5-trifluoromethyl-oxazole-4-carboxylic acid (6-morpholin-4-yl-pyridin-3-yl)-amide
CID 16757011
2-Phenyl-5-trifluoromethyl-oxazole-4-carboxylic acid (2-morpholin-4-yl-pyrimidin-5-yl)-amide
CID 16757014
5-Phenyl-2-trifluoromethyl-furan-3-carboxylic acid (6-morpholin-4-yl-pyridin-3-yl)-amide
CID 16757105
5-Chloro-2-phenyl-oxazole-4-carboxylic acid (6-morpholin-4-yl-pyridin-3-yl)-amide
CID 16757106

Frequently Asked Questions

What is the IUPAC name of N-[6-[4-(cyclopropanecarbonyl)piperazin-1-yl]-3-pyridinyl]-2-phenyl-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide?
The IUPAC name of N-[6-[4-(cyclopropanecarbonyl)piperazin-1-yl]-3-pyridinyl]-2-phenyl-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide (CID 52936731) is N-[6-[4-(cyclopropanecarbonyl)piperazin-1-yl]-3-pyridinyl]-2-phenyl-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide.
What is the SMILES notation for N-[6-[4-(cyclopropanecarbonyl)piperazin-1-yl]-3-pyridinyl]-2-phenyl-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide?
The canonical SMILES for N-[6-[4-(cyclopropanecarbonyl)piperazin-1-yl]-3-pyridinyl]-2-phenyl-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide is O=C(Nc1ccc(N2CCN(C(=O)C3CC3)CC2)nc1)c1nc(-c2ccccc2)oc1C(F)(F)F.
What is the InChIKey of N-[6-[4-(cyclopropanecarbonyl)piperazin-1-yl]-3-pyridinyl]-2-phenyl-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide?
The InChIKey is XNPROQNSSCAJLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22F3N5O3/c25-24(26,27)20-19(30-22(35-20)15-4-2-1-3-5-15)21(33)29-17-8-9-18(28-14-17)31-10-12-32(13-11-31)23(34)16-6-7-16/h1-5,8-9,14,16H,6-7,10-13H2,(H,29,33).
What are the key properties of N-[6-[4-(cyclopropanecarbonyl)piperazin-1-yl]-3-pyridinyl]-2-phenyl-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide?
N-[6-[4-(cyclopropanecarbonyl)piperazin-1-yl]-3-pyridinyl]-2-phenyl-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide has a molecular weight of 485.47 g/mol, XLogP of 4.07, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[4-(cyclopropanecarbonyl)piperazin-1-yl]-3-pyridinyl]-2-phenyl-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 52936731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).