2-[(5-tert-butyl-1,2-oxazol-3-yl)methylamino]-N-[2,6-dichloro-4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]acetamide

C19H22Cl2F3N3O3 — CID 146407164

IUPAC2-[(5-tert-butyl-1,2-oxazol-3-yl)methylamino]-N-[2,6-dichloro-4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]acetamide
SMILESCC(C)(C)c1cc(CNCC(=O)Nc2c(Cl)cc(C(C)(O)C(F)(F)F)cc2Cl)no1
InChIInChI=1S/C19H22Cl2F3N3O3/c1-17(2,3)14-7-11(27-30-14)8-25-9-15(28)26-16-12(20)5-10(6-13(16)21)18(4,29)19(22,23)24/h5-7,25,29H,8-9H2,1-4H3,(H,26,28)
InChIKeySYVLPPUACUANHN-UHFFFAOYSA-N
MW468.30 g/mol
LogP4.78
Rot. Bonds6

About 2-[(5-tert-butyl-1,2-oxazol-3-yl)methylamino]-N-[2,6-dichloro-4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]acetamide

2-[(5-tert-butyl-1,2-oxazol-3-yl)methylamino]-N-[2,6-dichloro-4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]acetamide (PubChem CID 146407164) has the molecular formula C19H22Cl2F3N3O3 and a molecular weight of 468.30 g/mol. Its IUPAC name is 2-[(5-tert-butyl-1,2-oxazol-3-yl)methylamino]-N-[2,6-dichloro-4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]acetamide.

Molecular Properties

Compound Name2-[(5-tert-butyl-1,2-oxazol-3-yl)methylamino]-N-[2,6-dichloro-4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]acetamide
PubChem CID146407164
Molecular FormulaC19H22Cl2F3N3O3
Molecular Weight468.30 g/mol
Exact Mass467.10
IUPAC Name2-[(5-tert-butyl-1,2-oxazol-3-yl)methylamino]-N-[2,6-dichloro-4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]acetamide
SMILESCC(C)(C)c1cc(CNCC(=O)Nc2c(Cl)cc(C(C)(O)C(F)(F)F)cc2Cl)no1
InChIInChI=1S/C19H22Cl2F3N3O3/c1-17(2,3)14-7-11(27-30-14)8-25-9-15(28)26-16-12(20)5-10(6-13(16)21)18(4,29)19(22,23)24/h5-7,25,29H,8-9H2,1-4H3,(H,26,28)
InChIKeySYVLPPUACUANHN-UHFFFAOYSA-N
XLogP4.78
TPSA87.39 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.30
LogP ≤ 54.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 2-[(5-tert-butyl-1,2-oxazol-3-yl)methylamino]-N-[2,6-dichloro-4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]acetamide 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 2-[(5-tert-butyl-1,2-oxazol-3-yl)methylamino]-N-[2,6-dichloro-4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]acetamide?
The IUPAC name of 2-[(5-tert-butyl-1,2-oxazol-3-yl)methylamino]-N-[2,6-dichloro-4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]acetamide (CID 146407164) is 2-[(5-tert-butyl-1,2-oxazol-3-yl)methylamino]-N-[2,6-dichloro-4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]acetamide.
What is the SMILES notation for 2-[(5-tert-butyl-1,2-oxazol-3-yl)methylamino]-N-[2,6-dichloro-4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]acetamide?
The canonical SMILES for 2-[(5-tert-butyl-1,2-oxazol-3-yl)methylamino]-N-[2,6-dichloro-4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]acetamide is CC(C)(C)c1cc(CNCC(=O)Nc2c(Cl)cc(C(C)(O)C(F)(F)F)cc2Cl)no1.
What is the InChIKey of 2-[(5-tert-butyl-1,2-oxazol-3-yl)methylamino]-N-[2,6-dichloro-4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]acetamide?
The InChIKey is SYVLPPUACUANHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22Cl2F3N3O3/c1-17(2,3)14-7-11(27-30-14)8-25-9-15(28)26-16-12(20)5-10(6-13(16)21)18(4,29)19(22,23)24/h5-7,25,29H,8-9H2,1-4H3,(H,26,28).
What are the key properties of 2-[(5-tert-butyl-1,2-oxazol-3-yl)methylamino]-N-[2,6-dichloro-4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]acetamide?
2-[(5-tert-butyl-1,2-oxazol-3-yl)methylamino]-N-[2,6-dichloro-4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]acetamide has a molecular weight of 468.30 g/mol, XLogP of 4.78, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-tert-butyl-1,2-oxazol-3-yl)methylamino]-N-[2,6-dichloro-4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]acetamide is sourced from PubChem (CID 146407164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).