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

C16H15FN4O3 — CID 90603299

IUPAC1-[5-(2,5-dimethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]-3-[(4-fluorophenyl)methyl]urea
SMILESCc1cc(-c2nnc(NC(=O)NCc3ccc(F)cc3)o2)c(C)o1
InChIInChI=1S/C16H15FN4O3/c1-9-7-13(10(2)23-9)14-20-21-16(24-14)19-15(22)18-8-11-3-5-12(17)6-4-11/h3-7H,8H2,1-2H3,(H2,18,19,21,22)
InChIKeyJKMUEVSITWDRCX-UHFFFAOYSA-N
MW330.32 g/mol
LogP3.41
Rot. Bonds4

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

1-[5-(2,5-dimethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]-3-[(4-fluorophenyl)methyl]urea (PubChem CID 90603299) has the molecular formula C16H15FN4O3 and a molecular weight of 330.32 g/mol. Its IUPAC name is 1-[5-(2,5-dimethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]-3-[(4-fluorophenyl)methyl]urea.

Molecular Properties

Compound Name1-[5-(2,5-dimethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]-3-[(4-fluorophenyl)methyl]urea
PubChem CID90603299
Molecular FormulaC16H15FN4O3
Molecular Weight330.32 g/mol
Exact Mass330.11
IUPAC Name1-[5-(2,5-dimethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]-3-[(4-fluorophenyl)methyl]urea
SMILESCc1cc(-c2nnc(NC(=O)NCc3ccc(F)cc3)o2)c(C)o1
InChIInChI=1S/C16H15FN4O3/c1-9-7-13(10(2)23-9)14-20-21-16(24-14)19-15(22)18-8-11-3-5-12(17)6-4-11/h3-7H,8H2,1-2H3,(H2,18,19,21,22)
InChIKeyJKMUEVSITWDRCX-UHFFFAOYSA-N
XLogP3.41
TPSA93.19 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.32
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-[5-(2,5-dimethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]-3-[(4-fluorophenyl)methyl]urea with MolForge

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Related Compounds

1-[(3R)-3-(2,5-dimethylfuran-3-yl)-3-hydroxypropyl]-3-[(4-fluorophenyl)methyl]urea
CID 97042999
N-[5-(2,5-dimethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]-2-(4-methylphenoxy)acetamide
CID 90603131
1-[5-(2,5-dimethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]-3-(3,4,5-trimethoxyphenyl)urea
CID 90603284
N-[5-(2,4-difluorophenyl)-1,3,4-oxadiazol-2-yl]-2-(4-fluorophenyl)acetamide
CID 43972042
4-benzoyl-N-[5-(2,5-dimethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]benzamide
CID 90603183
N-[5-(2,5-dimethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]-3,4-diethoxybenzamide
CID 90603088
N-[5-(2,5-dimethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]naphthalene-2-carboxamide
CID 90603114
2,4-dichloro-N-[5-(2,5-dimethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]benzamide
CID 90603103
N-[5-(2,5-dimethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]-2-(4-methoxyphenyl)sulfanylacetamide
CID 90603259
N-[5-(2,5-dimethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]-2,3-dimethoxybenzamide
CID 90603085
N-[5-(2,5-dimethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]-3,4,5-triethoxybenzamide
CID 90603090
N-[5-(2,5-dimethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]-2-phenoxypropanamide
CID 90603123

Frequently Asked Questions

What is the IUPAC name of 1-[5-(2,5-dimethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]-3-[(4-fluorophenyl)methyl]urea?
The IUPAC name of 1-[5-(2,5-dimethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]-3-[(4-fluorophenyl)methyl]urea (CID 90603299) is 1-[5-(2,5-dimethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]-3-[(4-fluorophenyl)methyl]urea.
What is the SMILES notation for 1-[5-(2,5-dimethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]-3-[(4-fluorophenyl)methyl]urea?
The canonical SMILES for 1-[5-(2,5-dimethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]-3-[(4-fluorophenyl)methyl]urea is Cc1cc(-c2nnc(NC(=O)NCc3ccc(F)cc3)o2)c(C)o1.
What is the InChIKey of 1-[5-(2,5-dimethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]-3-[(4-fluorophenyl)methyl]urea?
The InChIKey is JKMUEVSITWDRCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FN4O3/c1-9-7-13(10(2)23-9)14-20-21-16(24-14)19-15(22)18-8-11-3-5-12(17)6-4-11/h3-7H,8H2,1-2H3,(H2,18,19,21,22).
What are the key properties of 1-[5-(2,5-dimethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]-3-[(4-fluorophenyl)methyl]urea?
1-[5-(2,5-dimethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]-3-[(4-fluorophenyl)methyl]urea has a molecular weight of 330.32 g/mol, XLogP of 3.41, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(2,5-dimethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]-3-[(4-fluorophenyl)methyl]urea is sourced from PubChem (CID 90603299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).