1-(5-methyl-1,2-oxazol-3-yl)-3-(2,3,4-trifluoroanilino)urea

C11H9F3N4O2 — CID 51135954

IUPAC1-(5-methyl-1,2-oxazol-3-yl)-3-(2,3,4-trifluoroanilino)urea
SMILESCc1cc(NC(=O)NNc2ccc(F)c(F)c2F)no1
InChIInChI=1S/C11H9F3N4O2/c1-5-4-8(18-20-5)15-11(19)17-16-7-3-2-6(12)9(13)10(7)14/h2-4,16H,1H3,(H2,15,17,18,19)
InChIKeyCSVJXDCDHGVWSK-UHFFFAOYSA-N
MW286.21 g/mol
LogP2.55
Rot. Bonds3

About 1-(5-methyl-1,2-oxazol-3-yl)-3-(2,3,4-trifluoroanilino)urea

1-(5-methyl-1,2-oxazol-3-yl)-3-(2,3,4-trifluoroanilino)urea (PubChem CID 51135954) has the molecular formula C11H9F3N4O2 and a molecular weight of 286.21 g/mol. Its IUPAC name is 1-(5-methyl-1,2-oxazol-3-yl)-3-(2,3,4-trifluoroanilino)urea.

Molecular Properties

Compound Name1-(5-methyl-1,2-oxazol-3-yl)-3-(2,3,4-trifluoroanilino)urea
PubChem CID51135954
Molecular FormulaC11H9F3N4O2
Molecular Weight286.21 g/mol
Exact Mass286.07
IUPAC Name1-(5-methyl-1,2-oxazol-3-yl)-3-(2,3,4-trifluoroanilino)urea
SMILESCc1cc(NC(=O)NNc2ccc(F)c(F)c2F)no1
InChIInChI=1S/C11H9F3N4O2/c1-5-4-8(18-20-5)15-11(19)17-16-7-3-2-6(12)9(13)10(7)14/h2-4,16H,1H3,(H2,15,17,18,19)
InChIKeyCSVJXDCDHGVWSK-UHFFFAOYSA-N
XLogP2.55
TPSA79.19 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.21
LogP ≤ 52.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-propylamino]-N-(2,3,4-trifluorophenyl)acetamide
CID 2467731
6-methyl-N-(5-methyl-1,2-oxazol-3-yl)-2-(2,3,4-trifluoroanilino)pyrimidine-4-carboxamide
CID 109338225
N-(2,5-difluorophenyl)-N'-(5-methyl-1,2-oxazol-3-yl)oxamide
CID 108524041
6-methyl-2-[(5-methyl-1,2-oxazol-3-yl)amino]-N-(2,3,4-trifluorophenyl)pyrimidine-4-carboxamide
CID 109338228
1-(5-phenyl-1,2-oxazol-3-yl)-3-(2,3,4-trifluorophenyl)urea
CID 108812789
1-(2-hydroxy-4-methylphenyl)-3-(5-methyl-1,2-oxazol-3-yl)urea
CID 108812172
2-fluoro-5-methyl-N-(5-methyl-1,2-oxazol-3-yl)benzamide
CID 62509692
1-(3,5-dihydroxyphenyl)-3-(5-methyl-1,2-oxazol-3-yl)urea
CID 108895478
N-methyl-N'-(5-methyl-1,2-oxazol-3-yl)oxamide
CID 44996069
3-chloro-4-fluoro-N-(5-methyl-1,2-oxazol-3-yl)benzamide
CID 110764772
1-(4-methyl-2-pyridinyl)-3-(2,3,4-trifluorophenyl)urea
CID 108892618
1-(3,5-dichlorophenyl)-3-(5-methyl-1,2-oxazol-3-yl)urea
CID 6467048

Frequently Asked Questions

What is the IUPAC name of 1-(5-methyl-1,2-oxazol-3-yl)-3-(2,3,4-trifluoroanilino)urea?
The IUPAC name of 1-(5-methyl-1,2-oxazol-3-yl)-3-(2,3,4-trifluoroanilino)urea (CID 51135954) is 1-(5-methyl-1,2-oxazol-3-yl)-3-(2,3,4-trifluoroanilino)urea.
What is the SMILES notation for 1-(5-methyl-1,2-oxazol-3-yl)-3-(2,3,4-trifluoroanilino)urea?
The canonical SMILES for 1-(5-methyl-1,2-oxazol-3-yl)-3-(2,3,4-trifluoroanilino)urea is Cc1cc(NC(=O)NNc2ccc(F)c(F)c2F)no1.
What is the InChIKey of 1-(5-methyl-1,2-oxazol-3-yl)-3-(2,3,4-trifluoroanilino)urea?
The InChIKey is CSVJXDCDHGVWSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9F3N4O2/c1-5-4-8(18-20-5)15-11(19)17-16-7-3-2-6(12)9(13)10(7)14/h2-4,16H,1H3,(H2,15,17,18,19).
What are the key properties of 1-(5-methyl-1,2-oxazol-3-yl)-3-(2,3,4-trifluoroanilino)urea?
1-(5-methyl-1,2-oxazol-3-yl)-3-(2,3,4-trifluoroanilino)urea has a molecular weight of 286.21 g/mol, XLogP of 2.55, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methyl-1,2-oxazol-3-yl)-3-(2,3,4-trifluoroanilino)urea is sourced from PubChem (CID 51135954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).