N-[(R)-[3-chloro-4-(trifluoromethoxy)phenyl]-[2-(trifluoromethyl)-1,3-oxazol-4-yl]methyl]-2-oxoimidazolidine-4-carboxamide

C16H11ClF6N4O4 — CID 175417158

IUPACN-[(R)-[3-chloro-4-(trifluoromethoxy)phenyl]-[2-(trifluoromethyl)-1,3-oxazol-4-yl]methyl]-2-oxoimidazolidine-4-carboxamide
SMILESO=C1NCC(C(=O)N[C@H](c2ccc(OC(F)(F)F)c(Cl)c2)c2coc(C(F)(F)F)n2)N1
InChIInChI=1S/C16H11ClF6N4O4/c17-7-3-6(1-2-10(7)31-16(21,22)23)11(9-5-30-13(25-9)15(18,19)20)27-12(28)8-4-24-14(29)26-8/h1-3,5,8,11H,4H2,(H,27,28)(H2,24,26,29)/t8?,11-/m1/s1
InChIKeyMRAVJQYKMVOXAD-QHDYGNBISA-N
MW472.73 g/mol
LogP3.13
Rot. Bonds5

About N-[(R)-[3-chloro-4-(trifluoromethoxy)phenyl]-[2-(trifluoromethyl)-1,3-oxazol-4-yl]methyl]-2-oxoimidazolidine-4-carboxamide

N-[(R)-[3-chloro-4-(trifluoromethoxy)phenyl]-[2-(trifluoromethyl)-1,3-oxazol-4-yl]methyl]-2-oxoimidazolidine-4-carboxamide (PubChem CID 175417158) has the molecular formula C16H11ClF6N4O4 and a molecular weight of 472.73 g/mol. Its IUPAC name is N-[(R)-[3-chloro-4-(trifluoromethoxy)phenyl]-[2-(trifluoromethyl)-1,3-oxazol-4-yl]methyl]-2-oxoimidazolidine-4-carboxamide.

Molecular Properties

Compound NameN-[(R)-[3-chloro-4-(trifluoromethoxy)phenyl]-[2-(trifluoromethyl)-1,3-oxazol-4-yl]methyl]-2-oxoimidazolidine-4-carboxamide
PubChem CID175417158
Molecular FormulaC16H11ClF6N4O4
Molecular Weight472.73 g/mol
Exact Mass472.04
IUPAC NameN-[(R)-[3-chloro-4-(trifluoromethoxy)phenyl]-[2-(trifluoromethyl)-1,3-oxazol-4-yl]methyl]-2-oxoimidazolidine-4-carboxamide
SMILESO=C1NCC(C(=O)N[C@H](c2ccc(OC(F)(F)F)c(Cl)c2)c2coc(C(F)(F)F)n2)N1
InChIInChI=1S/C16H11ClF6N4O4/c17-7-3-6(1-2-10(7)31-16(21,22)23)11(9-5-30-13(25-9)15(18,19)20)27-12(28)8-4-24-14(29)26-8/h1-3,5,8,11H,4H2,(H,27,28)(H2,24,26,29)/t8?,11-/m1/s1
InChIKeyMRAVJQYKMVOXAD-QHDYGNBISA-N
XLogP3.13
TPSA105.49 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.73
LogP ≤ 53.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze N-[(R)-[3-chloro-4-(trifluoromethoxy)phenyl]-[2-(trifluoromethyl)-1,3-oxazol-4-yl]methyl]-2-oxoimidazolidine-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

Frequently Asked Questions

What is the IUPAC name of N-[(R)-[3-chloro-4-(trifluoromethoxy)phenyl]-[2-(trifluoromethyl)-1,3-oxazol-4-yl]methyl]-2-oxoimidazolidine-4-carboxamide?
The IUPAC name of N-[(R)-[3-chloro-4-(trifluoromethoxy)phenyl]-[2-(trifluoromethyl)-1,3-oxazol-4-yl]methyl]-2-oxoimidazolidine-4-carboxamide (CID 175417158) is N-[(R)-[3-chloro-4-(trifluoromethoxy)phenyl]-[2-(trifluoromethyl)-1,3-oxazol-4-yl]methyl]-2-oxoimidazolidine-4-carboxamide.
What is the SMILES notation for N-[(R)-[3-chloro-4-(trifluoromethoxy)phenyl]-[2-(trifluoromethyl)-1,3-oxazol-4-yl]methyl]-2-oxoimidazolidine-4-carboxamide?
The canonical SMILES for N-[(R)-[3-chloro-4-(trifluoromethoxy)phenyl]-[2-(trifluoromethyl)-1,3-oxazol-4-yl]methyl]-2-oxoimidazolidine-4-carboxamide is O=C1NCC(C(=O)N[C@H](c2ccc(OC(F)(F)F)c(Cl)c2)c2coc(C(F)(F)F)n2)N1.
What is the InChIKey of N-[(R)-[3-chloro-4-(trifluoromethoxy)phenyl]-[2-(trifluoromethyl)-1,3-oxazol-4-yl]methyl]-2-oxoimidazolidine-4-carboxamide?
The InChIKey is MRAVJQYKMVOXAD-QHDYGNBISA-N. The full InChI is InChI=1S/C16H11ClF6N4O4/c17-7-3-6(1-2-10(7)31-16(21,22)23)11(9-5-30-13(25-9)15(18,19)20)27-12(28)8-4-24-14(29)26-8/h1-3,5,8,11H,4H2,(H,27,28)(H2,24,26,29)/t8?,11-/m1/s1.
What are the key properties of N-[(R)-[3-chloro-4-(trifluoromethoxy)phenyl]-[2-(trifluoromethyl)-1,3-oxazol-4-yl]methyl]-2-oxoimidazolidine-4-carboxamide?
N-[(R)-[3-chloro-4-(trifluoromethoxy)phenyl]-[2-(trifluoromethyl)-1,3-oxazol-4-yl]methyl]-2-oxoimidazolidine-4-carboxamide has a molecular weight of 472.73 g/mol, XLogP of 3.13, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(R)-[3-chloro-4-(trifluoromethoxy)phenyl]-[2-(trifluoromethyl)-1,3-oxazol-4-yl]methyl]-2-oxoimidazolidine-4-carboxamide is sourced from PubChem (CID 175417158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).