methyl 4-[4-[[2-phenyl-5-(trifluoromethyl)-1,3-oxazole-4-carbonyl]amino]phenyl]piperidine-1-carboxylate

C24H22F3N3O4 — CID 52936955

IUPACmethyl 4-[4-[[2-phenyl-5-(trifluoromethyl)-1,3-oxazole-4-carbonyl]amino]phenyl]piperidine-1-carboxylate
SMILESCOC(=O)N1CCC(c2ccc(NC(=O)c3nc(-c4ccccc4)oc3C(F)(F)F)cc2)CC1
InChIInChI=1S/C24H22F3N3O4/c1-33-23(32)30-13-11-16(12-14-30)15-7-9-18(10-8-15)28-21(31)19-20(24(25,26)27)34-22(29-19)17-5-3-2-4-6-17/h2-10,16H,11-14H2,1H3,(H,28,31)
InChIKeyRCXDLPPBDGCXNX-UHFFFAOYSA-N
MW473.45 g/mol
LogP5.56
Rot. Bonds4

About methyl 4-[4-[[2-phenyl-5-(trifluoromethyl)-1,3-oxazole-4-carbonyl]amino]phenyl]piperidine-1-carboxylate

methyl 4-[4-[[2-phenyl-5-(trifluoromethyl)-1,3-oxazole-4-carbonyl]amino]phenyl]piperidine-1-carboxylate (PubChem CID 52936955) has the molecular formula C24H22F3N3O4 and a molecular weight of 473.45 g/mol. Its IUPAC name is methyl 4-[4-[[2-phenyl-5-(trifluoromethyl)-1,3-oxazole-4-carbonyl]amino]phenyl]piperidine-1-carboxylate.

Molecular Properties

Compound Namemethyl 4-[4-[[2-phenyl-5-(trifluoromethyl)-1,3-oxazole-4-carbonyl]amino]phenyl]piperidine-1-carboxylate
PubChem CID52936955
Molecular FormulaC24H22F3N3O4
Molecular Weight473.45 g/mol
Exact Mass473.16
IUPAC Namemethyl 4-[4-[[2-phenyl-5-(trifluoromethyl)-1,3-oxazole-4-carbonyl]amino]phenyl]piperidine-1-carboxylate
SMILESCOC(=O)N1CCC(c2ccc(NC(=O)c3nc(-c4ccccc4)oc3C(F)(F)F)cc2)CC1
InChIInChI=1S/C24H22F3N3O4/c1-33-23(32)30-13-11-16(12-14-30)15-7-9-18(10-8-15)28-21(31)19-20(24(25,26)27)34-22(29-19)17-5-3-2-4-6-17/h2-10,16H,11-14H2,1H3,(H,28,31)
InChIKeyRCXDLPPBDGCXNX-UHFFFAOYSA-N
XLogP5.56
TPSA84.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500473.45
LogP ≤ 55.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 4-[4-[[2-phenyl-5-(trifluoromethyl)-1,3-oxazole-4-carbonyl]amino]phenyl]piperidine-1-carboxylate 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

CID 9953769
CID 9953769
CID 3238586
CID 3238586
CID 2572028
CID 2572028
CID 53233019
CID 53233019
CID 54584609
CID 54584609
CID 2450587
CID 2450587
CID 16187589
CID 16187589
CID 2786572
CID 2786572
CID 10126996
CID 10126996
CID 10150826
CID 10150826
CID 10173261
CID 10173261
CID 10194571
CID 10194571

Frequently Asked Questions

What is the IUPAC name of methyl 4-[4-[[2-phenyl-5-(trifluoromethyl)-1,3-oxazole-4-carbonyl]amino]phenyl]piperidine-1-carboxylate?
The IUPAC name of methyl 4-[4-[[2-phenyl-5-(trifluoromethyl)-1,3-oxazole-4-carbonyl]amino]phenyl]piperidine-1-carboxylate (CID 52936955) is methyl 4-[4-[[2-phenyl-5-(trifluoromethyl)-1,3-oxazole-4-carbonyl]amino]phenyl]piperidine-1-carboxylate.
What is the SMILES notation for methyl 4-[4-[[2-phenyl-5-(trifluoromethyl)-1,3-oxazole-4-carbonyl]amino]phenyl]piperidine-1-carboxylate?
The canonical SMILES for methyl 4-[4-[[2-phenyl-5-(trifluoromethyl)-1,3-oxazole-4-carbonyl]amino]phenyl]piperidine-1-carboxylate is COC(=O)N1CCC(c2ccc(NC(=O)c3nc(-c4ccccc4)oc3C(F)(F)F)cc2)CC1.
What is the InChIKey of methyl 4-[4-[[2-phenyl-5-(trifluoromethyl)-1,3-oxazole-4-carbonyl]amino]phenyl]piperidine-1-carboxylate?
The InChIKey is RCXDLPPBDGCXNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22F3N3O4/c1-33-23(32)30-13-11-16(12-14-30)15-7-9-18(10-8-15)28-21(31)19-20(24(25,26)27)34-22(29-19)17-5-3-2-4-6-17/h2-10,16H,11-14H2,1H3,(H,28,31).
What are the key properties of methyl 4-[4-[[2-phenyl-5-(trifluoromethyl)-1,3-oxazole-4-carbonyl]amino]phenyl]piperidine-1-carboxylate?
methyl 4-[4-[[2-phenyl-5-(trifluoromethyl)-1,3-oxazole-4-carbonyl]amino]phenyl]piperidine-1-carboxylate has a molecular weight of 473.45 g/mol, XLogP of 5.56, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[4-[[2-phenyl-5-(trifluoromethyl)-1,3-oxazole-4-carbonyl]amino]phenyl]piperidine-1-carboxylate is sourced from PubChem (CID 52936955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).