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

C19H17FN4O2 — CID 90562232

IUPAC1-[2-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]phenyl]-3-(4-fluorophenyl)urea
SMILESO=C(Nc1ccc(F)cc1)Nc1ccccc1Cc1nc(C2CC2)no1
InChIInChI=1S/C19H17FN4O2/c20-14-7-9-15(10-8-14)21-19(25)22-16-4-2-1-3-13(16)11-17-23-18(24-26-17)12-5-6-12/h1-4,7-10,12H,5-6,11H2,(H2,21,22,25)
InChIKeyNQIRNSYBHLSTNV-UHFFFAOYSA-N
MW352.37 g/mol
LogP4.32
Rot. Bonds5

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

1-[2-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]phenyl]-3-(4-fluorophenyl)urea (PubChem CID 90562232) has the molecular formula C19H17FN4O2 and a molecular weight of 352.37 g/mol. Its IUPAC name is 1-[2-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]phenyl]-3-(4-fluorophenyl)urea.

Molecular Properties

Compound Name1-[2-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]phenyl]-3-(4-fluorophenyl)urea
PubChem CID90562232
Molecular FormulaC19H17FN4O2
Molecular Weight352.37 g/mol
Exact Mass352.13
IUPAC Name1-[2-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]phenyl]-3-(4-fluorophenyl)urea
SMILESO=C(Nc1ccc(F)cc1)Nc1ccccc1Cc1nc(C2CC2)no1
InChIInChI=1S/C19H17FN4O2/c20-14-7-9-15(10-8-14)21-19(25)22-16-4-2-1-3-13(16)11-17-23-18(24-26-17)12-5-6-12/h1-4,7-10,12H,5-6,11H2,(H2,21,22,25)
InChIKeyNQIRNSYBHLSTNV-UHFFFAOYSA-N
XLogP4.32
TPSA80.05 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.37
LogP ≤ 54.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-chlorophenyl)-3-[2-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]phenyl]urea
CID 90562228
N-[2-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]phenyl]-2-(2,4-difluorophenyl)acetamide
CID 90562214
1-[2-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]phenyl]-3-(2,3-dimethoxyphenyl)urea
CID 90562248
5-cyclopropyl-N-[2-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]phenyl]-1,2-oxazole-3-carboxamide
CID 71800500
1-(4-fluorophenyl)-3-[2-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]urea
CID 71800527
methyl N-[4-[[2-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]phenyl]sulfamoyl]phenyl]carbamate
CID 90562370
2,5-dichloro-N-[2-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]phenyl]benzamide
CID 72717371
1-[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]phenyl]-3-(4-methylphenyl)urea
CID 90562124
N-[2-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]phenyl]-1-benzothiophene-2-carboxamide
CID 90562217
N-[2-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]phenyl]-2-fluorobenzenesulfonamide
CID 90562308
N-[2-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]phenyl]benzenesulfonamide
CID 90562273
1-(4-fluorophenyl)-3-[2-(hydroxymethyl)phenyl]urea
CID 61497811

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]phenyl]-3-(4-fluorophenyl)urea?
The IUPAC name of 1-[2-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]phenyl]-3-(4-fluorophenyl)urea (CID 90562232) is 1-[2-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]phenyl]-3-(4-fluorophenyl)urea.
What is the SMILES notation for 1-[2-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]phenyl]-3-(4-fluorophenyl)urea?
The canonical SMILES for 1-[2-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]phenyl]-3-(4-fluorophenyl)urea is O=C(Nc1ccc(F)cc1)Nc1ccccc1Cc1nc(C2CC2)no1.
What is the InChIKey of 1-[2-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]phenyl]-3-(4-fluorophenyl)urea?
The InChIKey is NQIRNSYBHLSTNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN4O2/c20-14-7-9-15(10-8-14)21-19(25)22-16-4-2-1-3-13(16)11-17-23-18(24-26-17)12-5-6-12/h1-4,7-10,12H,5-6,11H2,(H2,21,22,25).
What are the key properties of 1-[2-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]phenyl]-3-(4-fluorophenyl)urea?
1-[2-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]phenyl]-3-(4-fluorophenyl)urea has a molecular weight of 352.37 g/mol, XLogP of 4.32, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]phenyl]-3-(4-fluorophenyl)urea is sourced from PubChem (CID 90562232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).