1-[3-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]phenyl]-3-propylurea

C18H17FN4O2 — CID 53005888

IUPAC1-[3-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]phenyl]-3-propylurea
SMILESCCCNC(=O)Nc1cccc(-c2noc(-c3ccc(F)cc3)n2)c1
InChIInChI=1S/C18H17FN4O2/c1-2-10-20-18(24)21-15-5-3-4-13(11-15)16-22-17(25-23-16)12-6-8-14(19)9-7-12/h3-9,11H,2,10H2,1H3,(H2,20,21,24)
InChIKeyCRCRKUXNPIZOMC-UHFFFAOYSA-N
MW340.36 g/mol
LogP4.07
Rot. Bonds5

About 1-[3-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]phenyl]-3-propylurea

1-[3-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]phenyl]-3-propylurea (PubChem CID 53005888) has the molecular formula C18H17FN4O2 and a molecular weight of 340.36 g/mol. Its IUPAC name is 1-[3-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]phenyl]-3-propylurea.

Molecular Properties

Compound Name1-[3-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]phenyl]-3-propylurea
PubChem CID53005888
Molecular FormulaC18H17FN4O2
Molecular Weight340.36 g/mol
Exact Mass340.13
IUPAC Name1-[3-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]phenyl]-3-propylurea
SMILESCCCNC(=O)Nc1cccc(-c2noc(-c3ccc(F)cc3)n2)c1
InChIInChI=1S/C18H17FN4O2/c1-2-10-20-18(24)21-15-5-3-4-13(11-15)16-22-17(25-23-16)12-6-8-14(19)9-7-12/h3-9,11H,2,10H2,1H3,(H2,20,21,24)
InChIKeyCRCRKUXNPIZOMC-UHFFFAOYSA-N
XLogP4.07
TPSA80.05 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.36
LogP ≤ 54.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[3-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]phenyl]-3-propylurea?
The IUPAC name of 1-[3-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]phenyl]-3-propylurea (CID 53005888) is 1-[3-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]phenyl]-3-propylurea.
What is the SMILES notation for 1-[3-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]phenyl]-3-propylurea?
The canonical SMILES for 1-[3-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]phenyl]-3-propylurea is CCCNC(=O)Nc1cccc(-c2noc(-c3ccc(F)cc3)n2)c1.
What is the InChIKey of 1-[3-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]phenyl]-3-propylurea?
The InChIKey is CRCRKUXNPIZOMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN4O2/c1-2-10-20-18(24)21-15-5-3-4-13(11-15)16-22-17(25-23-16)12-6-8-14(19)9-7-12/h3-9,11H,2,10H2,1H3,(H2,20,21,24).
What are the key properties of 1-[3-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]phenyl]-3-propylurea?
1-[3-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]phenyl]-3-propylurea has a molecular weight of 340.36 g/mol, XLogP of 4.07, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]phenyl]-3-propylurea is sourced from PubChem (CID 53005888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).