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

C18H24FN5O2 — CID 167843276

IUPAC[1-[1-[3-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]ethyl]azepan-4-yl]urea
SMILESCC(c1nc(Cc2ccc(F)cc2)no1)N1CCCC(NC(N)=O)CC1
InChIInChI=1S/C18H24FN5O2/c1-12(24-9-2-3-15(8-10-24)21-18(20)25)17-22-16(23-26-17)11-13-4-6-14(19)7-5-13/h4-7,12,15H,2-3,8-11H2,1H3,(H3,20,21,25)
InChIKeyOZXNJCKVRYKOQZ-UHFFFAOYSA-N
MW361.42 g/mol
LogP2.38
Rot. Bonds5

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

[1-[1-[3-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]ethyl]azepan-4-yl]urea (PubChem CID 167843276) has the molecular formula C18H24FN5O2 and a molecular weight of 361.42 g/mol. Its IUPAC name is [1-[1-[3-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]ethyl]azepan-4-yl]urea.

Molecular Properties

Compound Name[1-[1-[3-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]ethyl]azepan-4-yl]urea
PubChem CID167843276
Molecular FormulaC18H24FN5O2
Molecular Weight361.42 g/mol
Exact Mass361.19
IUPAC Name[1-[1-[3-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]ethyl]azepan-4-yl]urea
SMILESCC(c1nc(Cc2ccc(F)cc2)no1)N1CCCC(NC(N)=O)CC1
InChIInChI=1S/C18H24FN5O2/c1-12(24-9-2-3-15(8-10-24)21-18(20)25)17-22-16(23-26-17)11-13-4-6-14(19)7-5-13/h4-7,12,15H,2-3,8-11H2,1H3,(H3,20,21,25)
InChIKeyOZXNJCKVRYKOQZ-UHFFFAOYSA-N
XLogP2.38
TPSA97.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.42
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-[(1S)-1-(3-benzyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]-N-cyclopentylacetamide
CID 51727825
1-[(3R)-1-[(1S)-1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]pyrrolidin-3-yl]-3-(4-fluorophenyl)urea
CID 100839495
1-[1-[1-[3-[(4-chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]ethyl]piperidin-4-yl]ethanol
CID 111461981
2-[4-[1-(3-benzyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]-N-(3-methylcyclohexyl)acetamide
CID 78870822
1-[1-(3-benzyl-1,2,4-oxadiazol-5-yl)ethyl]pyrrolidine-3-carboxylic acid
CID 119904663
N-cyclopropyl-2-[(2R)-2-[3-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]acetamide
CID 97212373
4-[(1R)-1-(3-benzyl-1,2,4-oxadiazol-5-yl)ethyl]-N-methylpiperazine-1-carboxamide
CID 94172116
3-[3-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]pentan-2-ol
CID 63346122
[1-[1-(2,6-difluorophenyl)ethyl]piperidin-4-yl]urea
CID 71976361
4-[(1S)-1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]-N-(4-fluorophenyl)piperazine-1-carboxamide
CID 95623041
N-[(1S)-1-[3-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]ethyl]furan-3-carboxamide
CID 95899844
1-[(3S)-1-[(1R)-1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]piperidin-3-yl]-1,2,4-triazole-3-carboxamide
CID 129488731

Frequently Asked Questions

What is the IUPAC name of [1-[1-[3-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]ethyl]azepan-4-yl]urea?
The IUPAC name of [1-[1-[3-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]ethyl]azepan-4-yl]urea (CID 167843276) is [1-[1-[3-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]ethyl]azepan-4-yl]urea.
What is the SMILES notation for [1-[1-[3-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]ethyl]azepan-4-yl]urea?
The canonical SMILES for [1-[1-[3-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]ethyl]azepan-4-yl]urea is CC(c1nc(Cc2ccc(F)cc2)no1)N1CCCC(NC(N)=O)CC1.
What is the InChIKey of [1-[1-[3-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]ethyl]azepan-4-yl]urea?
The InChIKey is OZXNJCKVRYKOQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24FN5O2/c1-12(24-9-2-3-15(8-10-24)21-18(20)25)17-22-16(23-26-17)11-13-4-6-14(19)7-5-13/h4-7,12,15H,2-3,8-11H2,1H3,(H3,20,21,25).
What are the key properties of [1-[1-[3-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]ethyl]azepan-4-yl]urea?
[1-[1-[3-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]ethyl]azepan-4-yl]urea has a molecular weight of 361.42 g/mol, XLogP of 2.38, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[1-[3-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]ethyl]azepan-4-yl]urea is sourced from PubChem (CID 167843276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).