1-(4-fluorophenyl)-3-[2-(3-methyl-1,2-oxazol-5-yl)ethyl]urea

C13H14FN3O2 — CID 71789744

IUPAC1-(4-fluorophenyl)-3-[2-(3-methyl-1,2-oxazol-5-yl)ethyl]urea
SMILESCc1cc(CCNC(=O)Nc2ccc(F)cc2)on1
InChIInChI=1S/C13H14FN3O2/c1-9-8-12(19-17-9)6-7-15-13(18)16-11-4-2-10(14)3-5-11/h2-5,8H,6-7H2,1H3,(H2,15,16,18)
InChIKeyMNPNRWGSCLJNMQ-UHFFFAOYSA-N
MW263.27 g/mol
LogP2.49
Rot. Bonds4

About 1-(4-fluorophenyl)-3-[2-(3-methyl-1,2-oxazol-5-yl)ethyl]urea

1-(4-fluorophenyl)-3-[2-(3-methyl-1,2-oxazol-5-yl)ethyl]urea (PubChem CID 71789744) has the molecular formula C13H14FN3O2 and a molecular weight of 263.27 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-3-[2-(3-methyl-1,2-oxazol-5-yl)ethyl]urea.

Molecular Properties

Compound Name1-(4-fluorophenyl)-3-[2-(3-methyl-1,2-oxazol-5-yl)ethyl]urea
PubChem CID71789744
Molecular FormulaC13H14FN3O2
Molecular Weight263.27 g/mol
Exact Mass263.11
IUPAC Name1-(4-fluorophenyl)-3-[2-(3-methyl-1,2-oxazol-5-yl)ethyl]urea
SMILESCc1cc(CCNC(=O)Nc2ccc(F)cc2)on1
InChIInChI=1S/C13H14FN3O2/c1-9-8-12(19-17-9)6-7-15-13(18)16-11-4-2-10(14)3-5-11/h2-5,8H,6-7H2,1H3,(H2,15,16,18)
InChIKeyMNPNRWGSCLJNMQ-UHFFFAOYSA-N
XLogP2.49
TPSA67.16 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.27
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-3-[2-(3-methyl-1,2-oxazol-5-yl)ethyl]urea?
The IUPAC name of 1-(4-fluorophenyl)-3-[2-(3-methyl-1,2-oxazol-5-yl)ethyl]urea (CID 71789744) is 1-(4-fluorophenyl)-3-[2-(3-methyl-1,2-oxazol-5-yl)ethyl]urea.
What is the SMILES notation for 1-(4-fluorophenyl)-3-[2-(3-methyl-1,2-oxazol-5-yl)ethyl]urea?
The canonical SMILES for 1-(4-fluorophenyl)-3-[2-(3-methyl-1,2-oxazol-5-yl)ethyl]urea is Cc1cc(CCNC(=O)Nc2ccc(F)cc2)on1.
What is the InChIKey of 1-(4-fluorophenyl)-3-[2-(3-methyl-1,2-oxazol-5-yl)ethyl]urea?
The InChIKey is MNPNRWGSCLJNMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FN3O2/c1-9-8-12(19-17-9)6-7-15-13(18)16-11-4-2-10(14)3-5-11/h2-5,8H,6-7H2,1H3,(H2,15,16,18).
What are the key properties of 1-(4-fluorophenyl)-3-[2-(3-methyl-1,2-oxazol-5-yl)ethyl]urea?
1-(4-fluorophenyl)-3-[2-(3-methyl-1,2-oxazol-5-yl)ethyl]urea has a molecular weight of 263.27 g/mol, XLogP of 2.49, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-3-[2-(3-methyl-1,2-oxazol-5-yl)ethyl]urea is sourced from PubChem (CID 71789744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).