1-[(5-fluoro-1H-indol-2-yl)methyl]-1-methyl-3-(oxolan-2-ylmethyl)urea

C16H20FN3O2 — CID 119069577

IUPAC1-[(5-fluoro-1H-indol-2-yl)methyl]-1-methyl-3-(oxolan-2-ylmethyl)urea
SMILESCN(Cc1cc2cc(F)ccc2[nH]1)C(=O)NCC1CCCO1
InChIInChI=1S/C16H20FN3O2/c1-20(16(21)18-9-14-3-2-6-22-14)10-13-8-11-7-12(17)4-5-15(11)19-13/h4-5,7-8,14,19H,2-3,6,9-10H2,1H3,(H,18,21)
InChIKeyGVOINLQIYIDUGM-UHFFFAOYSA-N
MW305.35 g/mol
LogP2.63
Rot. Bonds4

About 1-[(5-fluoro-1H-indol-2-yl)methyl]-1-methyl-3-(oxolan-2-ylmethyl)urea

1-[(5-fluoro-1H-indol-2-yl)methyl]-1-methyl-3-(oxolan-2-ylmethyl)urea (PubChem CID 119069577) has the molecular formula C16H20FN3O2 and a molecular weight of 305.35 g/mol. Its IUPAC name is 1-[(5-fluoro-1H-indol-2-yl)methyl]-1-methyl-3-(oxolan-2-ylmethyl)urea.

Molecular Properties

Compound Name1-[(5-fluoro-1H-indol-2-yl)methyl]-1-methyl-3-(oxolan-2-ylmethyl)urea
PubChem CID119069577
Molecular FormulaC16H20FN3O2
Molecular Weight305.35 g/mol
Exact Mass305.15
IUPAC Name1-[(5-fluoro-1H-indol-2-yl)methyl]-1-methyl-3-(oxolan-2-ylmethyl)urea
SMILESCN(Cc1cc2cc(F)ccc2[nH]1)C(=O)NCC1CCCO1
InChIInChI=1S/C16H20FN3O2/c1-20(16(21)18-9-14-3-2-6-22-14)10-13-8-11-7-12(17)4-5-15(11)19-13/h4-5,7-8,14,19H,2-3,6,9-10H2,1H3,(H,18,21)
InChIKeyGVOINLQIYIDUGM-UHFFFAOYSA-N
XLogP2.63
TPSA57.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.35
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(5-fluoro-2-methyl-1H-indol-3-yl)-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 31883592
2-[(6-fluoro-1H-benzimidazol-2-yl)methyl-methylamino]-N-(oxolan-2-ylmethyl)acetamide
CID 91837583
1-methyl-1-[(3-methylsulfanylphenyl)methyl]-3-(oxan-2-ylmethyl)urea
CID 119064472
1-[(5-fluoro-1H-indol-2-yl)methyl]-3-[[5-(2-methoxyethyl)-1,2,4-oxadiazol-3-yl]methyl]-1-methylurea
CID 122569719
4-fluoro-N-(oxolan-2-ylmethyl)benzamide
CID 531952
N-[(5-fluoro-1H-indol-2-yl)methyl]-N-methyloxan-4-amine;2,2,2-trifluoroacetic acid
CID 154886958
1-[(5-bromothiophen-3-yl)methyl]-1-methyl-3-[[(2S)-oxolan-2-yl]methyl]urea
CID 94198642
1-[(3-fluorophenyl)methyl]-1-methyl-3-(oxolan-2-ylmethyl)thiourea
CID 16554021
1-[(6-ethyl-2-oxo-1H-quinolin-3-yl)methyl]-1-[(4-fluorophenyl)methyl]-3-[[(2S)-oxolan-2-yl]methyl]thiourea
CID 1134254
(2S)-N-[(5-fluoro-1H-indol-2-yl)methyl]-N-methyl-2,3-dihydro-1H-indole-2-carboxamide
CID 56867081
(2R)-N-[(5-fluoro-1H-indol-2-yl)methyl]-2-(pyrrolidin-1-ylmethyl)-1,4-oxazepane-4-carboxamide
CID 126435815
N-[(4-fluorophenyl)methyl]-N-methyl-2-(oxolan-2-ylmethylamino)acetamide;hydrochloride
CID 119683651

Frequently Asked Questions

What is the IUPAC name of 1-[(5-fluoro-1H-indol-2-yl)methyl]-1-methyl-3-(oxolan-2-ylmethyl)urea?
The IUPAC name of 1-[(5-fluoro-1H-indol-2-yl)methyl]-1-methyl-3-(oxolan-2-ylmethyl)urea (CID 119069577) is 1-[(5-fluoro-1H-indol-2-yl)methyl]-1-methyl-3-(oxolan-2-ylmethyl)urea.
What is the SMILES notation for 1-[(5-fluoro-1H-indol-2-yl)methyl]-1-methyl-3-(oxolan-2-ylmethyl)urea?
The canonical SMILES for 1-[(5-fluoro-1H-indol-2-yl)methyl]-1-methyl-3-(oxolan-2-ylmethyl)urea is CN(Cc1cc2cc(F)ccc2[nH]1)C(=O)NCC1CCCO1.
What is the InChIKey of 1-[(5-fluoro-1H-indol-2-yl)methyl]-1-methyl-3-(oxolan-2-ylmethyl)urea?
The InChIKey is GVOINLQIYIDUGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20FN3O2/c1-20(16(21)18-9-14-3-2-6-22-14)10-13-8-11-7-12(17)4-5-15(11)19-13/h4-5,7-8,14,19H,2-3,6,9-10H2,1H3,(H,18,21).
What are the key properties of 1-[(5-fluoro-1H-indol-2-yl)methyl]-1-methyl-3-(oxolan-2-ylmethyl)urea?
1-[(5-fluoro-1H-indol-2-yl)methyl]-1-methyl-3-(oxolan-2-ylmethyl)urea has a molecular weight of 305.35 g/mol, XLogP of 2.63, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-fluoro-1H-indol-2-yl)methyl]-1-methyl-3-(oxolan-2-ylmethyl)urea is sourced from PubChem (CID 119069577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).