2-[[3-chloro-5-(trifluoromethyl)phenyl]carbamoylamino]-1,3-oxazole-5-carboxylic acid

C12H7ClF3N3O4 — CID 175502694

IUPAC2-[[3-chloro-5-(trifluoromethyl)phenyl]carbamoylamino]-1,3-oxazole-5-carboxylic acid
SMILESO=C(Nc1cc(Cl)cc(C(F)(F)F)c1)Nc1ncc(C(=O)O)o1
InChIInChI=1S/C12H7ClF3N3O4/c13-6-1-5(12(14,15)16)2-7(3-6)18-10(22)19-11-17-4-8(23-11)9(20)21/h1-4H,(H,20,21)(H2,17,18,19,22)
InChIKeyZHUGDENATRMMEK-UHFFFAOYSA-N
MW349.65 g/mol
LogP3.69
Rot. Bonds3

About 2-[[3-chloro-5-(trifluoromethyl)phenyl]carbamoylamino]-1,3-oxazole-5-carboxylic acid

2-[[3-chloro-5-(trifluoromethyl)phenyl]carbamoylamino]-1,3-oxazole-5-carboxylic acid (PubChem CID 175502694) has the molecular formula C12H7ClF3N3O4 and a molecular weight of 349.65 g/mol. Its IUPAC name is 2-[[3-chloro-5-(trifluoromethyl)phenyl]carbamoylamino]-1,3-oxazole-5-carboxylic acid.

Molecular Properties

Compound Name2-[[3-chloro-5-(trifluoromethyl)phenyl]carbamoylamino]-1,3-oxazole-5-carboxylic acid
PubChem CID175502694
Molecular FormulaC12H7ClF3N3O4
Molecular Weight349.65 g/mol
Exact Mass349.01
IUPAC Name2-[[3-chloro-5-(trifluoromethyl)phenyl]carbamoylamino]-1,3-oxazole-5-carboxylic acid
SMILESO=C(Nc1cc(Cl)cc(C(F)(F)F)c1)Nc1ncc(C(=O)O)o1
InChIInChI=1S/C12H7ClF3N3O4/c13-6-1-5(12(14,15)16)2-7(3-6)18-10(22)19-11-17-4-8(23-11)9(20)21/h1-4H,(H,20,21)(H2,17,18,19,22)
InChIKeyZHUGDENATRMMEK-UHFFFAOYSA-N
XLogP3.69
TPSA104.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.65
LogP ≤ 53.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-chloro-5-(trifluoromethyl)phenyl]-3-ethylurea
CID 116699308
1-[3-chloro-5-(trifluoromethyl)phenyl]-3-cyclobutylurea
CID 116699316
5-[[3-chloro-5-(trifluoromethyl)anilino]methyl]furan-2-carboxylic acid
CID 116699158
5-bromo-N-[3-chloro-5-(trifluoromethyl)phenyl]pyridine-2-carboxamide
CID 116700198
2-[[3-chloro-5-(trifluoromethyl)phenyl]carbamoyl]benzoic acid
CID 85472840
2-[3-chloro-5-(trifluoromethyl)anilino]-1,3-oxazole-4-carboxylic acid
CID 116700317
2-amino-N-[3-chloro-5-(trifluoromethyl)phenyl]acetamide
CID 116699767
1-[3,5-bis(trifluoromethyl)phenyl]-3-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]urea
CID 21498375
2-[[3,5-bis(trifluoromethyl)phenyl]carbamoylamino]-4-chlorobenzoic acid
CID 11293246
methyl 2-[3-chloro-5-(trifluoromethyl)anilino]-2-oxoacetate
CID 116700746
5-[3-chloro-5-(trifluoromethyl)anilino]-5-oxopentanoic acid
CID 116698761
6-[3-chloro-5-(trifluoromethyl)anilino]-6-oxohexanoic acid
CID 116698763

Frequently Asked Questions

What is the IUPAC name of 2-[[3-chloro-5-(trifluoromethyl)phenyl]carbamoylamino]-1,3-oxazole-5-carboxylic acid?
The IUPAC name of 2-[[3-chloro-5-(trifluoromethyl)phenyl]carbamoylamino]-1,3-oxazole-5-carboxylic acid (CID 175502694) is 2-[[3-chloro-5-(trifluoromethyl)phenyl]carbamoylamino]-1,3-oxazole-5-carboxylic acid.
What is the SMILES notation for 2-[[3-chloro-5-(trifluoromethyl)phenyl]carbamoylamino]-1,3-oxazole-5-carboxylic acid?
The canonical SMILES for 2-[[3-chloro-5-(trifluoromethyl)phenyl]carbamoylamino]-1,3-oxazole-5-carboxylic acid is O=C(Nc1cc(Cl)cc(C(F)(F)F)c1)Nc1ncc(C(=O)O)o1.
What is the InChIKey of 2-[[3-chloro-5-(trifluoromethyl)phenyl]carbamoylamino]-1,3-oxazole-5-carboxylic acid?
The InChIKey is ZHUGDENATRMMEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7ClF3N3O4/c13-6-1-5(12(14,15)16)2-7(3-6)18-10(22)19-11-17-4-8(23-11)9(20)21/h1-4H,(H,20,21)(H2,17,18,19,22).
What are the key properties of 2-[[3-chloro-5-(trifluoromethyl)phenyl]carbamoylamino]-1,3-oxazole-5-carboxylic acid?
2-[[3-chloro-5-(trifluoromethyl)phenyl]carbamoylamino]-1,3-oxazole-5-carboxylic acid has a molecular weight of 349.65 g/mol, XLogP of 3.69, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-chloro-5-(trifluoromethyl)phenyl]carbamoylamino]-1,3-oxazole-5-carboxylic acid is sourced from PubChem (CID 175502694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).