1-[(1R)-1-(furan-2-yl)-2-methoxyethyl]-3-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]urea

C17H18N4O4 — CID 97009408

IUPAC1-[(1R)-1-(furan-2-yl)-2-methoxyethyl]-3-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]urea
SMILESCOC[C@@H](NC(=O)Nc1ccc(-c2nnc(C)o2)cc1)c1ccco1
InChIInChI=1S/C17H18N4O4/c1-11-20-21-16(25-11)12-5-7-13(8-6-12)18-17(22)19-14(10-23-2)15-4-3-9-24-15/h3-9,14H,10H2,1-2H3,(H2,18,19,22)/t14-/m1/s1
InChIKeyKSCFNULDBFNACZ-CQSZACIVSA-N
MW342.36 g/mol
LogP3.15
Rot. Bonds6

About 1-[(1R)-1-(furan-2-yl)-2-methoxyethyl]-3-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]urea

1-[(1R)-1-(furan-2-yl)-2-methoxyethyl]-3-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]urea (PubChem CID 97009408) has the molecular formula C17H18N4O4 and a molecular weight of 342.36 g/mol. Its IUPAC name is 1-[(1R)-1-(furan-2-yl)-2-methoxyethyl]-3-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]urea.

Molecular Properties

Compound Name1-[(1R)-1-(furan-2-yl)-2-methoxyethyl]-3-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]urea
PubChem CID97009408
Molecular FormulaC17H18N4O4
Molecular Weight342.36 g/mol
Exact Mass342.13
IUPAC Name1-[(1R)-1-(furan-2-yl)-2-methoxyethyl]-3-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]urea
SMILESCOC[C@@H](NC(=O)Nc1ccc(-c2nnc(C)o2)cc1)c1ccco1
InChIInChI=1S/C17H18N4O4/c1-11-20-21-16(25-11)12-5-7-13(8-6-12)18-17(22)19-14(10-23-2)15-4-3-9-24-15/h3-9,14H,10H2,1-2H3,(H2,18,19,22)/t14-/m1/s1
InChIKeyKSCFNULDBFNACZ-CQSZACIVSA-N
XLogP3.15
TPSA102.42 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.36
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-[(1R)-1-(furan-2-yl)-2-methoxyethyl]-3-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]urea with MolForge

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Related Compounds

1-(1-ethylpyrazol-4-yl)-3-[1-(furan-2-yl)-2-methoxyethyl]urea
CID 71865843
N'-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-N-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]oxamide
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1-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-3-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]urea
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2-(2-methoxyphenoxy)-N-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]acetamide
CID 25284211
1-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-3-(1-piperidin-1-ylpropan-2-yl)urea
CID 71981492
1-[1-(furan-2-yl)-2-methoxyethyl]-3-(1-pyridin-2-ylpyrazol-4-yl)urea
CID 86778196
1-[(1R)-1-(furan-2-yl)-2-methoxyethyl]-3-(1-pyridin-2-ylpyrazol-4-yl)urea
CID 99775116
N-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]thiophene-2-carboxamide
CID 110725523
2-amino-N-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]acetamide
CID 164831396
1-[(2-ethylphenyl)methyl]-3-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]urea
CID 71864877
1-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-3-[[(2S,3R)-2-propan-2-yloxolan-3-yl]methyl]urea
CID 97009416
N-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-2-phenylacetamide
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Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-1-(furan-2-yl)-2-methoxyethyl]-3-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]urea?
The IUPAC name of 1-[(1R)-1-(furan-2-yl)-2-methoxyethyl]-3-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]urea (CID 97009408) is 1-[(1R)-1-(furan-2-yl)-2-methoxyethyl]-3-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]urea.
What is the SMILES notation for 1-[(1R)-1-(furan-2-yl)-2-methoxyethyl]-3-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]urea?
The canonical SMILES for 1-[(1R)-1-(furan-2-yl)-2-methoxyethyl]-3-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]urea is COC[C@@H](NC(=O)Nc1ccc(-c2nnc(C)o2)cc1)c1ccco1.
What is the InChIKey of 1-[(1R)-1-(furan-2-yl)-2-methoxyethyl]-3-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]urea?
The InChIKey is KSCFNULDBFNACZ-CQSZACIVSA-N. The full InChI is InChI=1S/C17H18N4O4/c1-11-20-21-16(25-11)12-5-7-13(8-6-12)18-17(22)19-14(10-23-2)15-4-3-9-24-15/h3-9,14H,10H2,1-2H3,(H2,18,19,22)/t14-/m1/s1.
What are the key properties of 1-[(1R)-1-(furan-2-yl)-2-methoxyethyl]-3-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]urea?
1-[(1R)-1-(furan-2-yl)-2-methoxyethyl]-3-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]urea has a molecular weight of 342.36 g/mol, XLogP of 3.15, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R)-1-(furan-2-yl)-2-methoxyethyl]-3-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]urea is sourced from PubChem (CID 97009408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).