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

C16H22N4O4 — CID 128985907

IUPAC1-[2-(furan-2-yl)ethyl]-3-[(3-methyl-1,2,4-oxadiazol-5-yl)-(oxan-4-yl)methyl]urea
SMILESCc1noc(C(NC(=O)NCCc2ccco2)C2CCOCC2)n1
InChIInChI=1S/C16H22N4O4/c1-11-18-15(24-20-11)14(12-5-9-22-10-6-12)19-16(21)17-7-4-13-3-2-8-23-13/h2-3,8,12,14H,4-7,9-10H2,1H3,(H2,17,19,21)
InChIKeyVLEQOMZEPJFIKQ-UHFFFAOYSA-N
MW334.38 g/mol
LogP1.98
Rot. Bonds6

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

1-[2-(furan-2-yl)ethyl]-3-[(3-methyl-1,2,4-oxadiazol-5-yl)-(oxan-4-yl)methyl]urea (PubChem CID 128985907) has the molecular formula C16H22N4O4 and a molecular weight of 334.38 g/mol. Its IUPAC name is 1-[2-(furan-2-yl)ethyl]-3-[(3-methyl-1,2,4-oxadiazol-5-yl)-(oxan-4-yl)methyl]urea.

Molecular Properties

Compound Name1-[2-(furan-2-yl)ethyl]-3-[(3-methyl-1,2,4-oxadiazol-5-yl)-(oxan-4-yl)methyl]urea
PubChem CID128985907
Molecular FormulaC16H22N4O4
Molecular Weight334.38 g/mol
Exact Mass334.16
IUPAC Name1-[2-(furan-2-yl)ethyl]-3-[(3-methyl-1,2,4-oxadiazol-5-yl)-(oxan-4-yl)methyl]urea
SMILESCc1noc(C(NC(=O)NCCc2ccco2)C2CCOCC2)n1
InChIInChI=1S/C16H22N4O4/c1-11-18-15(24-20-11)14(12-5-9-22-10-6-12)19-16(21)17-7-4-13-3-2-8-23-13/h2-3,8,12,14H,4-7,9-10H2,1H3,(H2,17,19,21)
InChIKeyVLEQOMZEPJFIKQ-UHFFFAOYSA-N
XLogP1.98
TPSA102.42 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.38
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

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Related Compounds

1-[(R)-(3-methyl-1,2,4-oxadiazol-5-yl)-(oxan-4-yl)methyl]-3-[[(2S)-2-methyloxolan-2-yl]methyl]urea
CID 129333525
1-[(S)-(3-methyl-1,2,4-oxadiazol-5-yl)-(oxan-4-yl)methyl]-3-thiophen-3-ylurea
CID 129331095
1-[(2S)-1-methoxybutan-2-yl]-3-[(R)-(3-methyl-1,2,4-oxadiazol-5-yl)-(oxan-4-yl)methyl]urea
CID 129351780
4-methyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)-(oxan-4-yl)methyl]-1,3-thiazole-5-carboxamide
CID 128987864
5-ethyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)-(oxan-4-yl)methyl]-1H-pyrazole-3-carboxamide
CID 128987859
2-[2-(furan-2-yl)ethylcarbamoylamino]propanoic acid
CID 61471341
1-(dicyclopropylmethyl)-3-[(S)-oxan-4-yl-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]urea
CID 129337744
1-[(S)-(3-methyl-1,2,4-oxadiazol-5-yl)-phenylmethyl]-3-(2-phenylethyl)urea
CID 94816108
(2S)-N-[(S)-(3-methyl-1,2,4-oxadiazol-5-yl)-(oxan-4-yl)methyl]-1-pyrazol-1-ylpropan-2-amine
CID 129329834
1-[2-(furan-2-yl)ethyl]-3-[(R)-phenyl(pyridin-4-yl)methyl]urea
CID 95312794
(1R)-N-[[5-[(1S,2R)-2-methylcyclopropyl]furan-2-yl]methyl]-1-(3-methyl-1,2,4-oxadiazol-5-yl)-1-(oxan-4-yl)methanamine
CID 129336640
N-[(3-chloro-2-fluorophenyl)methyl]-1-(3-methyl-1,2,4-oxadiazol-5-yl)-1-(oxan-4-yl)methanamine
CID 128976686

Frequently Asked Questions

What is the IUPAC name of 1-[2-(furan-2-yl)ethyl]-3-[(3-methyl-1,2,4-oxadiazol-5-yl)-(oxan-4-yl)methyl]urea?
The IUPAC name of 1-[2-(furan-2-yl)ethyl]-3-[(3-methyl-1,2,4-oxadiazol-5-yl)-(oxan-4-yl)methyl]urea (CID 128985907) is 1-[2-(furan-2-yl)ethyl]-3-[(3-methyl-1,2,4-oxadiazol-5-yl)-(oxan-4-yl)methyl]urea.
What is the SMILES notation for 1-[2-(furan-2-yl)ethyl]-3-[(3-methyl-1,2,4-oxadiazol-5-yl)-(oxan-4-yl)methyl]urea?
The canonical SMILES for 1-[2-(furan-2-yl)ethyl]-3-[(3-methyl-1,2,4-oxadiazol-5-yl)-(oxan-4-yl)methyl]urea is Cc1noc(C(NC(=O)NCCc2ccco2)C2CCOCC2)n1.
What is the InChIKey of 1-[2-(furan-2-yl)ethyl]-3-[(3-methyl-1,2,4-oxadiazol-5-yl)-(oxan-4-yl)methyl]urea?
The InChIKey is VLEQOMZEPJFIKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O4/c1-11-18-15(24-20-11)14(12-5-9-22-10-6-12)19-16(21)17-7-4-13-3-2-8-23-13/h2-3,8,12,14H,4-7,9-10H2,1H3,(H2,17,19,21).
What are the key properties of 1-[2-(furan-2-yl)ethyl]-3-[(3-methyl-1,2,4-oxadiazol-5-yl)-(oxan-4-yl)methyl]urea?
1-[2-(furan-2-yl)ethyl]-3-[(3-methyl-1,2,4-oxadiazol-5-yl)-(oxan-4-yl)methyl]urea has a molecular weight of 334.38 g/mol, XLogP of 1.98, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(furan-2-yl)ethyl]-3-[(3-methyl-1,2,4-oxadiazol-5-yl)-(oxan-4-yl)methyl]urea is sourced from PubChem (CID 128985907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).