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

C25H23F3N4O3 — CID 52936952

IUPACN-[4-[4-(cyclopropanecarbonyl)piperazin-1-yl]phenyl]-2-phenyl-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide
SMILESO=C(Nc1ccc(N2CCN(C(=O)C3CC3)CC2)cc1)c1nc(-c2ccccc2)oc1C(F)(F)F
InChIInChI=1S/C25H23F3N4O3/c26-25(27,28)21-20(30-23(35-21)16-4-2-1-3-5-16)22(33)29-18-8-10-19(11-9-18)31-12-14-32(15-13-31)24(34)17-6-7-17/h1-5,8-11,17H,6-7,12-15H2,(H,29,33)
InChIKeyYXDRJLUCGLPAOL-UHFFFAOYSA-N
MW484.48 g/mol
LogP4.67
Rot. Bonds5

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

N-[4-[4-(cyclopropanecarbonyl)piperazin-1-yl]phenyl]-2-phenyl-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide (PubChem CID 52936952) has the molecular formula C25H23F3N4O3 and a molecular weight of 484.48 g/mol. Its IUPAC name is N-[4-[4-(cyclopropanecarbonyl)piperazin-1-yl]phenyl]-2-phenyl-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[4-[4-(cyclopropanecarbonyl)piperazin-1-yl]phenyl]-2-phenyl-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide
PubChem CID52936952
Molecular FormulaC25H23F3N4O3
Molecular Weight484.48 g/mol
Exact Mass484.17
IUPAC NameN-[4-[4-(cyclopropanecarbonyl)piperazin-1-yl]phenyl]-2-phenyl-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide
SMILESO=C(Nc1ccc(N2CCN(C(=O)C3CC3)CC2)cc1)c1nc(-c2ccccc2)oc1C(F)(F)F
InChIInChI=1S/C25H23F3N4O3/c26-25(27,28)21-20(30-23(35-21)16-4-2-1-3-5-16)22(33)29-18-8-10-19(11-9-18)31-12-14-32(15-13-31)24(34)17-6-7-17/h1-5,8-11,17H,6-7,12-15H2,(H,29,33)
InChIKeyYXDRJLUCGLPAOL-UHFFFAOYSA-N
XLogP4.67
TPSA78.68 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.48
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(cyclopropanecarbonyl)piperazin-1-yl]phenyl]-2-phenyl-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide?
The IUPAC name of N-[4-[4-(cyclopropanecarbonyl)piperazin-1-yl]phenyl]-2-phenyl-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide (CID 52936952) is N-[4-[4-(cyclopropanecarbonyl)piperazin-1-yl]phenyl]-2-phenyl-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide.
What is the SMILES notation for N-[4-[4-(cyclopropanecarbonyl)piperazin-1-yl]phenyl]-2-phenyl-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide?
The canonical SMILES for N-[4-[4-(cyclopropanecarbonyl)piperazin-1-yl]phenyl]-2-phenyl-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide is O=C(Nc1ccc(N2CCN(C(=O)C3CC3)CC2)cc1)c1nc(-c2ccccc2)oc1C(F)(F)F.
What is the InChIKey of N-[4-[4-(cyclopropanecarbonyl)piperazin-1-yl]phenyl]-2-phenyl-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide?
The InChIKey is YXDRJLUCGLPAOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23F3N4O3/c26-25(27,28)21-20(30-23(35-21)16-4-2-1-3-5-16)22(33)29-18-8-10-19(11-9-18)31-12-14-32(15-13-31)24(34)17-6-7-17/h1-5,8-11,17H,6-7,12-15H2,(H,29,33).
What are the key properties of N-[4-[4-(cyclopropanecarbonyl)piperazin-1-yl]phenyl]-2-phenyl-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide?
N-[4-[4-(cyclopropanecarbonyl)piperazin-1-yl]phenyl]-2-phenyl-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide has a molecular weight of 484.48 g/mol, XLogP of 4.67, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(cyclopropanecarbonyl)piperazin-1-yl]phenyl]-2-phenyl-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 52936952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).