1-[3-(furan-2-yl)phenyl]-3-[2-[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]ethyl]urea

C19H20N4O4 — CID 72926461

IUPAC1-[3-(furan-2-yl)phenyl]-3-[2-[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]ethyl]urea
SMILESO=C(NCCc1noc(C2CCCO2)n1)Nc1cccc(-c2ccco2)c1
InChIInChI=1S/C19H20N4O4/c24-19(21-14-5-1-4-13(12-14)15-6-2-10-25-15)20-9-8-17-22-18(27-23-17)16-7-3-11-26-16/h1-2,4-6,10,12,16H,3,7-9,11H2,(H2,20,21,24)
InChIKeyUWPUZJZJADQLGB-UHFFFAOYSA-N
MW368.39 g/mol
LogP3.55
Rot. Bonds6

About 1-[3-(furan-2-yl)phenyl]-3-[2-[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]ethyl]urea

1-[3-(furan-2-yl)phenyl]-3-[2-[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]ethyl]urea (PubChem CID 72926461) has the molecular formula C19H20N4O4 and a molecular weight of 368.39 g/mol. Its IUPAC name is 1-[3-(furan-2-yl)phenyl]-3-[2-[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]ethyl]urea.

Molecular Properties

Compound Name1-[3-(furan-2-yl)phenyl]-3-[2-[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]ethyl]urea
PubChem CID72926461
Molecular FormulaC19H20N4O4
Molecular Weight368.39 g/mol
Exact Mass368.15
IUPAC Name1-[3-(furan-2-yl)phenyl]-3-[2-[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]ethyl]urea
SMILESO=C(NCCc1noc(C2CCCO2)n1)Nc1cccc(-c2ccco2)c1
InChIInChI=1S/C19H20N4O4/c24-19(21-14-5-1-4-13(12-14)15-6-2-10-25-15)20-9-8-17-22-18(27-23-17)16-7-3-11-26-16/h1-2,4-6,10,12,16H,3,7-9,11H2,(H2,20,21,24)
InChIKeyUWPUZJZJADQLGB-UHFFFAOYSA-N
XLogP3.55
TPSA102.42 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.39
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-(4-oxochromen-6-yl)-3-[2-[5-[(2R)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]ethyl]urea
CID 125157030
1-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]-3-[[5-[(2R)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]methyl]urea
CID 97453495
1-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-3-[2-[5-[(2R)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]ethyl]urea
CID 97271844
1-(3-chloro-2,6-dimethylphenyl)-3-[2-[5-[(2R)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]ethyl]urea
CID 97286117
1-(3,4-dichlorophenyl)-3-[[5-[(2S)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]methyl]urea
CID 125167570
1-(1-cyclopentyl-4-methylpyrazol-5-yl)-3-[2-[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]ethyl]urea
CID 74249924
1-(furan-2-ylmethyl)-N-[2-[5-[(2R)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]ethyl]piperidine-4-carboxamide
CID 97197961
1-[2-[5-[(2R)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]ethyl]-3-(2-pyrazol-1-ylphenyl)urea
CID 125164773
2-(benzotriazol-2-yl)-N-[2-[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]ethyl]acetamide
CID 77092880
1-[[5-[(2S)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]methyl]-3-[3-(2-oxopyrrolidin-1-yl)phenyl]urea
CID 125162893
3-hydroxy-N-[2-[5-[(2S)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]ethyl]pyridine-2-carboxamide
CID 99933303
1-(3,5-dimethyl-1-propylpyrazol-4-yl)-3-[2-[5-[(2S)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]ethyl]urea
CID 125164554

Frequently Asked Questions

What is the IUPAC name of 1-[3-(furan-2-yl)phenyl]-3-[2-[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]ethyl]urea?
The IUPAC name of 1-[3-(furan-2-yl)phenyl]-3-[2-[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]ethyl]urea (CID 72926461) is 1-[3-(furan-2-yl)phenyl]-3-[2-[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]ethyl]urea.
What is the SMILES notation for 1-[3-(furan-2-yl)phenyl]-3-[2-[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]ethyl]urea?
The canonical SMILES for 1-[3-(furan-2-yl)phenyl]-3-[2-[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]ethyl]urea is O=C(NCCc1noc(C2CCCO2)n1)Nc1cccc(-c2ccco2)c1.
What is the InChIKey of 1-[3-(furan-2-yl)phenyl]-3-[2-[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]ethyl]urea?
The InChIKey is UWPUZJZJADQLGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O4/c24-19(21-14-5-1-4-13(12-14)15-6-2-10-25-15)20-9-8-17-22-18(27-23-17)16-7-3-11-26-16/h1-2,4-6,10,12,16H,3,7-9,11H2,(H2,20,21,24).
What are the key properties of 1-[3-(furan-2-yl)phenyl]-3-[2-[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]ethyl]urea?
1-[3-(furan-2-yl)phenyl]-3-[2-[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]ethyl]urea has a molecular weight of 368.39 g/mol, XLogP of 3.55, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(furan-2-yl)phenyl]-3-[2-[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]ethyl]urea is sourced from PubChem (CID 72926461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).