1-[5-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-pyridinyl]-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-2-pyridinyl]-3-ethylurea

C22H19F3N6O2S — CID 68639684

IUPAC1-[5-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-pyridinyl]-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-2-pyridinyl]-3-ethylurea
SMILESCCNC(=O)Nc1cc(-c2nc(C(F)(F)F)cs2)c(-c2cncc(-c3c(C)noc3C)c2)cn1
InChIInChI=1S/C22H19F3N6O2S/c1-4-27-21(32)30-18-6-15(20-29-17(10-34-20)22(23,24)25)16(9-28-18)13-5-14(8-26-7-13)19-11(2)31-33-12(19)3/h5-10H,4H2,1-3H3,(H2,27,28,30,32)
InChIKeyNPJHPUGORDSOLO-UHFFFAOYSA-N
MW488.50 g/mol
LogP5.70
Rot. Bonds5

About 1-[5-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-pyridinyl]-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-2-pyridinyl]-3-ethylurea

1-[5-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-pyridinyl]-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-2-pyridinyl]-3-ethylurea (PubChem CID 68639684) has the molecular formula C22H19F3N6O2S and a molecular weight of 488.50 g/mol. Its IUPAC name is 1-[5-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-pyridinyl]-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-2-pyridinyl]-3-ethylurea.

Molecular Properties

Compound Name1-[5-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-pyridinyl]-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-2-pyridinyl]-3-ethylurea
PubChem CID68639684
Molecular FormulaC22H19F3N6O2S
Molecular Weight488.50 g/mol
Exact Mass488.12
IUPAC Name1-[5-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-pyridinyl]-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-2-pyridinyl]-3-ethylurea
SMILESCCNC(=O)Nc1cc(-c2nc(C(F)(F)F)cs2)c(-c2cncc(-c3c(C)noc3C)c2)cn1
InChIInChI=1S/C22H19F3N6O2S/c1-4-27-21(32)30-18-6-15(20-29-17(10-34-20)22(23,24)25)16(9-28-18)13-5-14(8-26-7-13)19-11(2)31-33-12(19)3/h5-10H,4H2,1-3H3,(H2,27,28,30,32)
InChIKeyNPJHPUGORDSOLO-UHFFFAOYSA-N
XLogP5.70
TPSA105.83 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500488.50
LogP ≤ 55.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 1-[5-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-pyridinyl]-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-2-pyridinyl]-3-ethylurea with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[5-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-pyridinyl]-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-2-pyridinyl]-3-ethylurea?
The IUPAC name of 1-[5-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-pyridinyl]-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-2-pyridinyl]-3-ethylurea (CID 68639684) is 1-[5-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-pyridinyl]-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-2-pyridinyl]-3-ethylurea.
What is the SMILES notation for 1-[5-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-pyridinyl]-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-2-pyridinyl]-3-ethylurea?
The canonical SMILES for 1-[5-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-pyridinyl]-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-2-pyridinyl]-3-ethylurea is CCNC(=O)Nc1cc(-c2nc(C(F)(F)F)cs2)c(-c2cncc(-c3c(C)noc3C)c2)cn1.
What is the InChIKey of 1-[5-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-pyridinyl]-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-2-pyridinyl]-3-ethylurea?
The InChIKey is NPJHPUGORDSOLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19F3N6O2S/c1-4-27-21(32)30-18-6-15(20-29-17(10-34-20)22(23,24)25)16(9-28-18)13-5-14(8-26-7-13)19-11(2)31-33-12(19)3/h5-10H,4H2,1-3H3,(H2,27,28,30,32).
What are the key properties of 1-[5-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-pyridinyl]-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-2-pyridinyl]-3-ethylurea?
1-[5-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-pyridinyl]-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-2-pyridinyl]-3-ethylurea has a molecular weight of 488.50 g/mol, XLogP of 5.70, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-pyridinyl]-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-2-pyridinyl]-3-ethylurea is sourced from PubChem (CID 68639684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).