1-[(5-fluoro-1H-indol-2-yl)methyl]-3-[[5-(2-methoxyethyl)-1,2,4-oxadiazol-3-yl]methyl]-1-methylurea

C17H20FN5O3 — CID 122569719

IUPAC1-[(5-fluoro-1H-indol-2-yl)methyl]-3-[[5-(2-methoxyethyl)-1,2,4-oxadiazol-3-yl]methyl]-1-methylurea
SMILESCOCCc1nc(CNC(=O)N(C)Cc2cc3cc(F)ccc3[nH]2)no1
InChIInChI=1S/C17H20FN5O3/c1-23(10-13-8-11-7-12(18)3-4-14(11)20-13)17(24)19-9-15-21-16(26-22-15)5-6-25-2/h3-4,7-8,20H,5-6,9-10H2,1-2H3,(H,19,24)
InChIKeyHVNSHLGMJIRFAI-UHFFFAOYSA-N
MW361.38 g/mol
LogP2.22
Rot. Bonds7

About 1-[(5-fluoro-1H-indol-2-yl)methyl]-3-[[5-(2-methoxyethyl)-1,2,4-oxadiazol-3-yl]methyl]-1-methylurea

1-[(5-fluoro-1H-indol-2-yl)methyl]-3-[[5-(2-methoxyethyl)-1,2,4-oxadiazol-3-yl]methyl]-1-methylurea (PubChem CID 122569719) has the molecular formula C17H20FN5O3 and a molecular weight of 361.38 g/mol. Its IUPAC name is 1-[(5-fluoro-1H-indol-2-yl)methyl]-3-[[5-(2-methoxyethyl)-1,2,4-oxadiazol-3-yl]methyl]-1-methylurea.

Molecular Properties

Compound Name1-[(5-fluoro-1H-indol-2-yl)methyl]-3-[[5-(2-methoxyethyl)-1,2,4-oxadiazol-3-yl]methyl]-1-methylurea
PubChem CID122569719
Molecular FormulaC17H20FN5O3
Molecular Weight361.38 g/mol
Exact Mass361.16
IUPAC Name1-[(5-fluoro-1H-indol-2-yl)methyl]-3-[[5-(2-methoxyethyl)-1,2,4-oxadiazol-3-yl]methyl]-1-methylurea
SMILESCOCCc1nc(CNC(=O)N(C)Cc2cc3cc(F)ccc3[nH]2)no1
InChIInChI=1S/C17H20FN5O3/c1-23(10-13-8-11-7-12(18)3-4-14(11)20-13)17(24)19-9-15-21-16(26-22-15)5-6-25-2/h3-4,7-8,20H,5-6,9-10H2,1-2H3,(H,19,24)
InChIKeyHVNSHLGMJIRFAI-UHFFFAOYSA-N
XLogP2.22
TPSA96.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.38
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-[(5-fluoro-1H-indol-2-yl)methyl]-3-[[5-(2-methoxyethyl)-1,2,4-oxadiazol-3-yl]methyl]-1-methylurea with MolForge

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Related Compounds

5-fluoro-2-[[5-(2-methoxyethyl)-1,2,4-oxadiazol-3-yl]methylamino]-N,N-dimethylbenzamide
CID 167886583
3-(2-chloro-5-fluorophenyl)-1-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-1-methylurea
CID 71920225
methyl 3-(5-fluoro-1H-indol-2-yl)propanoate
CID 68676585
1-(2,2-difluoro-1,3-benzodioxol-5-yl)-3-[[5-(2-methoxyethyl)-1,2,4-oxadiazol-3-yl]methyl]urea
CID 72843604
1-[(5-fluoro-1H-indol-2-yl)methyl]-1-methyl-3-[(1R)-2-methyl-1-(1-methylimidazol-2-yl)propyl]urea
CID 125437107
5-(4-fluorophenyl)-N-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methylpyrazolidine-3-carboxamide
CID 78086018
3-(3-cyanophenyl)-1-[(5-fluoro-1H-indol-2-yl)methyl]-1-methylurea
CID 131913904
N-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methyl-1H-benzimidazole-2-carboxamide
CID 77085663
N-[(5-fluoro-1H-indol-2-yl)methyl]-N,3-dimethyl-2-phenylimidazole-4-carboxamide
CID 156585037
N-[(5-fluoro-1H-indol-2-yl)methyl]-N,5-dimethyl-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide
CID 146039353
4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[(5-fluoro-1H-indol-2-yl)methyl]-N-methylbenzamide
CID 56895385
N-[(5-fluoro-1H-indol-2-yl)methyl]-N-methyl-2-(4-methylsulfanylphenyl)acetamide
CID 90653942

Frequently Asked Questions

What is the IUPAC name of 1-[(5-fluoro-1H-indol-2-yl)methyl]-3-[[5-(2-methoxyethyl)-1,2,4-oxadiazol-3-yl]methyl]-1-methylurea?
The IUPAC name of 1-[(5-fluoro-1H-indol-2-yl)methyl]-3-[[5-(2-methoxyethyl)-1,2,4-oxadiazol-3-yl]methyl]-1-methylurea (CID 122569719) is 1-[(5-fluoro-1H-indol-2-yl)methyl]-3-[[5-(2-methoxyethyl)-1,2,4-oxadiazol-3-yl]methyl]-1-methylurea.
What is the SMILES notation for 1-[(5-fluoro-1H-indol-2-yl)methyl]-3-[[5-(2-methoxyethyl)-1,2,4-oxadiazol-3-yl]methyl]-1-methylurea?
The canonical SMILES for 1-[(5-fluoro-1H-indol-2-yl)methyl]-3-[[5-(2-methoxyethyl)-1,2,4-oxadiazol-3-yl]methyl]-1-methylurea is COCCc1nc(CNC(=O)N(C)Cc2cc3cc(F)ccc3[nH]2)no1.
What is the InChIKey of 1-[(5-fluoro-1H-indol-2-yl)methyl]-3-[[5-(2-methoxyethyl)-1,2,4-oxadiazol-3-yl]methyl]-1-methylurea?
The InChIKey is HVNSHLGMJIRFAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FN5O3/c1-23(10-13-8-11-7-12(18)3-4-14(11)20-13)17(24)19-9-15-21-16(26-22-15)5-6-25-2/h3-4,7-8,20H,5-6,9-10H2,1-2H3,(H,19,24).
What are the key properties of 1-[(5-fluoro-1H-indol-2-yl)methyl]-3-[[5-(2-methoxyethyl)-1,2,4-oxadiazol-3-yl]methyl]-1-methylurea?
1-[(5-fluoro-1H-indol-2-yl)methyl]-3-[[5-(2-methoxyethyl)-1,2,4-oxadiazol-3-yl]methyl]-1-methylurea has a molecular weight of 361.38 g/mol, XLogP of 2.22, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-fluoro-1H-indol-2-yl)methyl]-3-[[5-(2-methoxyethyl)-1,2,4-oxadiazol-3-yl]methyl]-1-methylurea is sourced from PubChem (CID 122569719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).