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

C18H23FN4O2 — CID 75378383

IUPAC1-cyclopropyl-1-[1-(2-fluorophenyl)ethyl]-3-[1-(5-methyl-1,2,4-oxadiazol-3-yl)propyl]urea
SMILESCCC(NC(=O)N(C1CC1)C(C)c1ccccc1F)c1noc(C)n1
InChIInChI=1S/C18H23FN4O2/c1-4-16(17-20-12(3)25-22-17)21-18(24)23(13-9-10-13)11(2)14-7-5-6-8-15(14)19/h5-8,11,13,16H,4,9-10H2,1-3H3,(H,21,24)
InChIKeyYPHZRZUINCNQKG-UHFFFAOYSA-N
MW346.41 g/mol
LogP3.90
Rot. Bonds6

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

1-cyclopropyl-1-[1-(2-fluorophenyl)ethyl]-3-[1-(5-methyl-1,2,4-oxadiazol-3-yl)propyl]urea (PubChem CID 75378383) has the molecular formula C18H23FN4O2 and a molecular weight of 346.41 g/mol. Its IUPAC name is 1-cyclopropyl-1-[1-(2-fluorophenyl)ethyl]-3-[1-(5-methyl-1,2,4-oxadiazol-3-yl)propyl]urea.

Molecular Properties

Compound Name1-cyclopropyl-1-[1-(2-fluorophenyl)ethyl]-3-[1-(5-methyl-1,2,4-oxadiazol-3-yl)propyl]urea
PubChem CID75378383
Molecular FormulaC18H23FN4O2
Molecular Weight346.41 g/mol
Exact Mass346.18
IUPAC Name1-cyclopropyl-1-[1-(2-fluorophenyl)ethyl]-3-[1-(5-methyl-1,2,4-oxadiazol-3-yl)propyl]urea
SMILESCCC(NC(=O)N(C1CC1)C(C)c1ccccc1F)c1noc(C)n1
InChIInChI=1S/C18H23FN4O2/c1-4-16(17-20-12(3)25-22-17)21-18(24)23(13-9-10-13)11(2)14-7-5-6-8-15(14)19/h5-8,11,13,16H,4,9-10H2,1-3H3,(H,21,24)
InChIKeyYPHZRZUINCNQKG-UHFFFAOYSA-N
XLogP3.90
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.41
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-1-[1-(2-fluorophenyl)ethyl]-3-[1-(5-methyl-1,2,4-oxadiazol-3-yl)propyl]urea?
The IUPAC name of 1-cyclopropyl-1-[1-(2-fluorophenyl)ethyl]-3-[1-(5-methyl-1,2,4-oxadiazol-3-yl)propyl]urea (CID 75378383) is 1-cyclopropyl-1-[1-(2-fluorophenyl)ethyl]-3-[1-(5-methyl-1,2,4-oxadiazol-3-yl)propyl]urea.
What is the SMILES notation for 1-cyclopropyl-1-[1-(2-fluorophenyl)ethyl]-3-[1-(5-methyl-1,2,4-oxadiazol-3-yl)propyl]urea?
The canonical SMILES for 1-cyclopropyl-1-[1-(2-fluorophenyl)ethyl]-3-[1-(5-methyl-1,2,4-oxadiazol-3-yl)propyl]urea is CCC(NC(=O)N(C1CC1)C(C)c1ccccc1F)c1noc(C)n1.
What is the InChIKey of 1-cyclopropyl-1-[1-(2-fluorophenyl)ethyl]-3-[1-(5-methyl-1,2,4-oxadiazol-3-yl)propyl]urea?
The InChIKey is YPHZRZUINCNQKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23FN4O2/c1-4-16(17-20-12(3)25-22-17)21-18(24)23(13-9-10-13)11(2)14-7-5-6-8-15(14)19/h5-8,11,13,16H,4,9-10H2,1-3H3,(H,21,24).
What are the key properties of 1-cyclopropyl-1-[1-(2-fluorophenyl)ethyl]-3-[1-(5-methyl-1,2,4-oxadiazol-3-yl)propyl]urea?
1-cyclopropyl-1-[1-(2-fluorophenyl)ethyl]-3-[1-(5-methyl-1,2,4-oxadiazol-3-yl)propyl]urea has a molecular weight of 346.41 g/mol, XLogP of 3.90, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-1-[1-(2-fluorophenyl)ethyl]-3-[1-(5-methyl-1,2,4-oxadiazol-3-yl)propyl]urea is sourced from PubChem (CID 75378383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).