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

C16H18N4O4 — CID 72864349

IUPAC1-[[5-(2-methoxyethyl)-1,2,4-oxadiazol-3-yl]methyl]-3-(2-methyl-1-benzofuran-5-yl)urea
SMILESCOCCc1nc(CNC(=O)Nc2ccc3oc(C)cc3c2)no1
InChIInChI=1S/C16H18N4O4/c1-10-7-11-8-12(3-4-13(11)23-10)18-16(21)17-9-14-19-15(24-20-14)5-6-22-2/h3-4,7-8H,5-6,9H2,1-2H3,(H2,17,18,21)
InChIKeyWQCXBSFMACNESB-UHFFFAOYSA-N
MW330.34 g/mol
LogP2.63
Rot. Bonds6

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

1-[[5-(2-methoxyethyl)-1,2,4-oxadiazol-3-yl]methyl]-3-(2-methyl-1-benzofuran-5-yl)urea (PubChem CID 72864349) has the molecular formula C16H18N4O4 and a molecular weight of 330.34 g/mol. Its IUPAC name is 1-[[5-(2-methoxyethyl)-1,2,4-oxadiazol-3-yl]methyl]-3-(2-methyl-1-benzofuran-5-yl)urea.

Molecular Properties

Compound Name1-[[5-(2-methoxyethyl)-1,2,4-oxadiazol-3-yl]methyl]-3-(2-methyl-1-benzofuran-5-yl)urea
PubChem CID72864349
Molecular FormulaC16H18N4O4
Molecular Weight330.34 g/mol
Exact Mass330.13
IUPAC Name1-[[5-(2-methoxyethyl)-1,2,4-oxadiazol-3-yl]methyl]-3-(2-methyl-1-benzofuran-5-yl)urea
SMILESCOCCc1nc(CNC(=O)Nc2ccc3oc(C)cc3c2)no1
InChIInChI=1S/C16H18N4O4/c1-10-7-11-8-12(3-4-13(11)23-10)18-16(21)17-9-14-19-15(24-20-14)5-6-22-2/h3-4,7-8H,5-6,9H2,1-2H3,(H2,17,18,21)
InChIKeyWQCXBSFMACNESB-UHFFFAOYSA-N
XLogP2.63
TPSA102.42 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.34
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

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Related Compounds

1-(2,2-difluoro-1,3-benzodioxol-5-yl)-3-[[5-(2-methoxyethyl)-1,2,4-oxadiazol-3-yl]methyl]urea
CID 72843604
methyl N-(2-methyl-1-benzofuran-5-yl)carbamate
CID 154667051
2-methyl-N-[[5-(thiophen-2-ylmethyl)-1,2,4-oxadiazol-3-yl]methyl]-1-benzofuran-5-carboxamide
CID 72871755
N-[[5-(2-methoxyethyl)-1,2,4-oxadiazol-3-yl]methyl]-6-methyl-2,3-dihydro-1,4-dioxine-5-carboxamide
CID 131950712
2-methyl-N-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]-1-benzofuran-5-carboxamide
CID 46964324
1-(3-aminophenyl)-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]urea
CID 106401387
1-(2,6-dimethoxy-3-pyridinyl)-3-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]urea
CID 72863828
2-methyl-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methylcarbamoylamino]benzoic acid
CID 106402619
2-methyl-5-[(5-methyl-1,2,4-oxadiazol-3-yl)methylcarbamoylamino]benzoic acid
CID 106402861
1-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-3-(4-methylsulfonylphenyl)urea
CID 72866993
5-fluoro-2-[[5-(2-methoxyethyl)-1,2,4-oxadiazol-3-yl]methylamino]-N,N-dimethylbenzamide
CID 167886583
N-[(2-methyl-1-benzofuran-5-yl)carbamothioyl]acetamide
CID 20691246

Frequently Asked Questions

What is the IUPAC name of 1-[[5-(2-methoxyethyl)-1,2,4-oxadiazol-3-yl]methyl]-3-(2-methyl-1-benzofuran-5-yl)urea?
The IUPAC name of 1-[[5-(2-methoxyethyl)-1,2,4-oxadiazol-3-yl]methyl]-3-(2-methyl-1-benzofuran-5-yl)urea (CID 72864349) is 1-[[5-(2-methoxyethyl)-1,2,4-oxadiazol-3-yl]methyl]-3-(2-methyl-1-benzofuran-5-yl)urea.
What is the SMILES notation for 1-[[5-(2-methoxyethyl)-1,2,4-oxadiazol-3-yl]methyl]-3-(2-methyl-1-benzofuran-5-yl)urea?
The canonical SMILES for 1-[[5-(2-methoxyethyl)-1,2,4-oxadiazol-3-yl]methyl]-3-(2-methyl-1-benzofuran-5-yl)urea is COCCc1nc(CNC(=O)Nc2ccc3oc(C)cc3c2)no1.
What is the InChIKey of 1-[[5-(2-methoxyethyl)-1,2,4-oxadiazol-3-yl]methyl]-3-(2-methyl-1-benzofuran-5-yl)urea?
The InChIKey is WQCXBSFMACNESB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O4/c1-10-7-11-8-12(3-4-13(11)23-10)18-16(21)17-9-14-19-15(24-20-14)5-6-22-2/h3-4,7-8H,5-6,9H2,1-2H3,(H2,17,18,21).
What are the key properties of 1-[[5-(2-methoxyethyl)-1,2,4-oxadiazol-3-yl]methyl]-3-(2-methyl-1-benzofuran-5-yl)urea?
1-[[5-(2-methoxyethyl)-1,2,4-oxadiazol-3-yl]methyl]-3-(2-methyl-1-benzofuran-5-yl)urea has a molecular weight of 330.34 g/mol, XLogP of 2.63, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[5-(2-methoxyethyl)-1,2,4-oxadiazol-3-yl]methyl]-3-(2-methyl-1-benzofuran-5-yl)urea is sourced from PubChem (CID 72864349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).