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

C18H24N4O3 — CID 111841207

IUPAC1-[1-(3-benzyl-1,2,4-oxadiazol-5-yl)ethyl]-3-[(1-hydroxycyclopentyl)methyl]urea
SMILESCC(NC(=O)NCC1(O)CCCC1)c1nc(Cc2ccccc2)no1
InChIInChI=1S/C18H24N4O3/c1-13(20-17(23)19-12-18(24)9-5-6-10-18)16-21-15(22-25-16)11-14-7-3-2-4-8-14/h2-4,7-8,13,24H,5-6,9-12H2,1H3,(H2,19,20,23)
InChIKeyASHAXKWWHDDWMU-UHFFFAOYSA-N
MW344.42 g/mol
LogP2.33
Rot. Bonds6

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

1-[1-(3-benzyl-1,2,4-oxadiazol-5-yl)ethyl]-3-[(1-hydroxycyclopentyl)methyl]urea (PubChem CID 111841207) has the molecular formula C18H24N4O3 and a molecular weight of 344.42 g/mol. Its IUPAC name is 1-[1-(3-benzyl-1,2,4-oxadiazol-5-yl)ethyl]-3-[(1-hydroxycyclopentyl)methyl]urea.

Molecular Properties

Compound Name1-[1-(3-benzyl-1,2,4-oxadiazol-5-yl)ethyl]-3-[(1-hydroxycyclopentyl)methyl]urea
PubChem CID111841207
Molecular FormulaC18H24N4O3
Molecular Weight344.42 g/mol
Exact Mass344.18
IUPAC Name1-[1-(3-benzyl-1,2,4-oxadiazol-5-yl)ethyl]-3-[(1-hydroxycyclopentyl)methyl]urea
SMILESCC(NC(=O)NCC1(O)CCCC1)c1nc(Cc2ccccc2)no1
InChIInChI=1S/C18H24N4O3/c1-13(20-17(23)19-12-18(24)9-5-6-10-18)16-21-15(22-25-16)11-14-7-3-2-4-8-14/h2-4,7-8,13,24H,5-6,9-12H2,1H3,(H2,19,20,23)
InChIKeyASHAXKWWHDDWMU-UHFFFAOYSA-N
XLogP2.33
TPSA100.28 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.42
LogP ≤ 52.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 1-[1-(3-benzyl-1,2,4-oxadiazol-5-yl)ethyl]-3-[(1-hydroxycyclopentyl)methyl]urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[1-(3-benzyl-1,2,4-oxadiazol-5-yl)ethyl]-3-(2-hydroxy-4-methylpentyl)urea
CID 111841214
1-[1-(3-benzyl-1,2,4-oxadiazol-5-yl)ethyl]-3-(4-hydroxy-3-methylbutan-2-yl)urea
CID 111840880
N-[(1S)-1-(3-benzyl-1,2,4-oxadiazol-5-yl)ethyl]thiomorpholine-4-carboxamide
CID 96543683
2-amino-N-[1-(3-benzyl-1,2,4-oxadiazol-5-yl)ethyl]-2-methylpropanamide
CID 119344366
1-[(1-hydroxycyclohexyl)methyl]-3-(1-phenylethyl)urea
CID 110936427
N-[1-(3-benzyl-1,2,4-oxadiazol-5-yl)ethyl]propan-2-amine
CID 119138999
N-[1-(3-benzyl-1,2,4-oxadiazol-5-yl)ethyl]piperidine-3-carboxamide
CID 119344384
N-[1-(3-benzyl-1,2,4-oxadiazol-5-yl)ethyl]-3-(3-but-3-ynyldiazirin-3-yl)propanamide
CID 154773462
1-[1-(1-benzofuran-2-yl)ethyl]-3-[(1-hydroxycyclopentyl)methyl]urea
CID 111103936
2-amino-N-[1-(3-benzyl-1,2,4-oxadiazol-5-yl)ethyl]pentanamide
CID 119344382
(2S)-2-amino-N-[1-(3-benzyl-1,2,4-oxadiazol-5-yl)ethyl]-4-methylsulfanylbutanamide
CID 119344376
(2S,5R)-5-(aminomethyl)-N-[1-(3-benzyl-1,2,4-oxadiazol-5-yl)ethyl]oxolane-2-carboxamide
CID 120796390

Frequently Asked Questions

What is the IUPAC name of 1-[1-(3-benzyl-1,2,4-oxadiazol-5-yl)ethyl]-3-[(1-hydroxycyclopentyl)methyl]urea?
The IUPAC name of 1-[1-(3-benzyl-1,2,4-oxadiazol-5-yl)ethyl]-3-[(1-hydroxycyclopentyl)methyl]urea (CID 111841207) is 1-[1-(3-benzyl-1,2,4-oxadiazol-5-yl)ethyl]-3-[(1-hydroxycyclopentyl)methyl]urea.
What is the SMILES notation for 1-[1-(3-benzyl-1,2,4-oxadiazol-5-yl)ethyl]-3-[(1-hydroxycyclopentyl)methyl]urea?
The canonical SMILES for 1-[1-(3-benzyl-1,2,4-oxadiazol-5-yl)ethyl]-3-[(1-hydroxycyclopentyl)methyl]urea is CC(NC(=O)NCC1(O)CCCC1)c1nc(Cc2ccccc2)no1.
What is the InChIKey of 1-[1-(3-benzyl-1,2,4-oxadiazol-5-yl)ethyl]-3-[(1-hydroxycyclopentyl)methyl]urea?
The InChIKey is ASHAXKWWHDDWMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O3/c1-13(20-17(23)19-12-18(24)9-5-6-10-18)16-21-15(22-25-16)11-14-7-3-2-4-8-14/h2-4,7-8,13,24H,5-6,9-12H2,1H3,(H2,19,20,23).
What are the key properties of 1-[1-(3-benzyl-1,2,4-oxadiazol-5-yl)ethyl]-3-[(1-hydroxycyclopentyl)methyl]urea?
1-[1-(3-benzyl-1,2,4-oxadiazol-5-yl)ethyl]-3-[(1-hydroxycyclopentyl)methyl]urea has a molecular weight of 344.42 g/mol, XLogP of 2.33, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(3-benzyl-1,2,4-oxadiazol-5-yl)ethyl]-3-[(1-hydroxycyclopentyl)methyl]urea is sourced from PubChem (CID 111841207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).