1-[5-fluoro-4-methoxy-2-(1,3-oxazol-2-yl)phenyl]-3-[3-(trifluoromethyl)-1,2-oxazol-5-yl]urea

C15H10F4N4O4 — CID 69234541

IUPAC1-[5-fluoro-4-methoxy-2-(1,3-oxazol-2-yl)phenyl]-3-[3-(trifluoromethyl)-1,2-oxazol-5-yl]urea
SMILESCOc1cc(-c2ncco2)c(NC(=O)Nc2cc(C(F)(F)F)no2)cc1F
InChIInChI=1S/C15H10F4N4O4/c1-25-10-4-7(13-20-2-3-26-13)9(5-8(10)16)21-14(24)22-12-6-11(23-27-12)15(17,18)19/h2-6H,1H3,(H2,21,22,24)
InChIKeyQJLHMDSOPOSRDU-UHFFFAOYSA-N
MW386.26 g/mol
LogP4.14
Rot. Bonds4

About 1-[5-fluoro-4-methoxy-2-(1,3-oxazol-2-yl)phenyl]-3-[3-(trifluoromethyl)-1,2-oxazol-5-yl]urea

1-[5-fluoro-4-methoxy-2-(1,3-oxazol-2-yl)phenyl]-3-[3-(trifluoromethyl)-1,2-oxazol-5-yl]urea (PubChem CID 69234541) has the molecular formula C15H10F4N4O4 and a molecular weight of 386.26 g/mol. Its IUPAC name is 1-[5-fluoro-4-methoxy-2-(1,3-oxazol-2-yl)phenyl]-3-[3-(trifluoromethyl)-1,2-oxazol-5-yl]urea.

Molecular Properties

Compound Name1-[5-fluoro-4-methoxy-2-(1,3-oxazol-2-yl)phenyl]-3-[3-(trifluoromethyl)-1,2-oxazol-5-yl]urea
PubChem CID69234541
Molecular FormulaC15H10F4N4O4
Molecular Weight386.26 g/mol
Exact Mass386.06
IUPAC Name1-[5-fluoro-4-methoxy-2-(1,3-oxazol-2-yl)phenyl]-3-[3-(trifluoromethyl)-1,2-oxazol-5-yl]urea
SMILESCOc1cc(-c2ncco2)c(NC(=O)Nc2cc(C(F)(F)F)no2)cc1F
InChIInChI=1S/C15H10F4N4O4/c1-25-10-4-7(13-20-2-3-26-13)9(5-8(10)16)21-14(24)22-12-6-11(23-27-12)15(17,18)19/h2-6H,1H3,(H2,21,22,24)
InChIKeyQJLHMDSOPOSRDU-UHFFFAOYSA-N
XLogP4.14
TPSA102.42 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.26
LogP ≤ 54.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[5-fluoro-4-methoxy-2-(1,3-oxazol-2-yl)phenyl]-3-[3-(trifluoromethyl)-1,2-oxazol-5-yl]urea?
The IUPAC name of 1-[5-fluoro-4-methoxy-2-(1,3-oxazol-2-yl)phenyl]-3-[3-(trifluoromethyl)-1,2-oxazol-5-yl]urea (CID 69234541) is 1-[5-fluoro-4-methoxy-2-(1,3-oxazol-2-yl)phenyl]-3-[3-(trifluoromethyl)-1,2-oxazol-5-yl]urea.
What is the SMILES notation for 1-[5-fluoro-4-methoxy-2-(1,3-oxazol-2-yl)phenyl]-3-[3-(trifluoromethyl)-1,2-oxazol-5-yl]urea?
The canonical SMILES for 1-[5-fluoro-4-methoxy-2-(1,3-oxazol-2-yl)phenyl]-3-[3-(trifluoromethyl)-1,2-oxazol-5-yl]urea is COc1cc(-c2ncco2)c(NC(=O)Nc2cc(C(F)(F)F)no2)cc1F.
What is the InChIKey of 1-[5-fluoro-4-methoxy-2-(1,3-oxazol-2-yl)phenyl]-3-[3-(trifluoromethyl)-1,2-oxazol-5-yl]urea?
The InChIKey is QJLHMDSOPOSRDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10F4N4O4/c1-25-10-4-7(13-20-2-3-26-13)9(5-8(10)16)21-14(24)22-12-6-11(23-27-12)15(17,18)19/h2-6H,1H3,(H2,21,22,24).
What are the key properties of 1-[5-fluoro-4-methoxy-2-(1,3-oxazol-2-yl)phenyl]-3-[3-(trifluoromethyl)-1,2-oxazol-5-yl]urea?
1-[5-fluoro-4-methoxy-2-(1,3-oxazol-2-yl)phenyl]-3-[3-(trifluoromethyl)-1,2-oxazol-5-yl]urea has a molecular weight of 386.26 g/mol, XLogP of 4.14, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-fluoro-4-methoxy-2-(1,3-oxazol-2-yl)phenyl]-3-[3-(trifluoromethyl)-1,2-oxazol-5-yl]urea is sourced from PubChem (CID 69234541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).