1-[[5-fluoro-6-(1,2-oxazol-3-ylmethoxy)-1H-indol-2-yl]methyl]-3-methylurea

C15H15FN4O3 — CID 171517843

IUPAC1-[[5-fluoro-6-(1,2-oxazol-3-ylmethoxy)-1H-indol-2-yl]methyl]-3-methylurea
SMILESCNC(=O)NCc1cc2cc(F)c(OCc3ccon3)cc2[nH]1
InChIInChI=1S/C15H15FN4O3/c1-17-15(21)18-7-11-4-9-5-12(16)14(6-13(9)19-11)22-8-10-2-3-23-20-10/h2-6,19H,7-8H2,1H3,(H2,17,18,21)
InChIKeyFEEQMPRLOMZHQH-UHFFFAOYSA-N
MW318.31 g/mol
LogP2.30
Rot. Bonds5

About 1-[[5-fluoro-6-(1,2-oxazol-3-ylmethoxy)-1H-indol-2-yl]methyl]-3-methylurea

1-[[5-fluoro-6-(1,2-oxazol-3-ylmethoxy)-1H-indol-2-yl]methyl]-3-methylurea (PubChem CID 171517843) has the molecular formula C15H15FN4O3 and a molecular weight of 318.31 g/mol. Its IUPAC name is 1-[[5-fluoro-6-(1,2-oxazol-3-ylmethoxy)-1H-indol-2-yl]methyl]-3-methylurea.

Molecular Properties

Compound Name1-[[5-fluoro-6-(1,2-oxazol-3-ylmethoxy)-1H-indol-2-yl]methyl]-3-methylurea
PubChem CID171517843
Molecular FormulaC15H15FN4O3
Molecular Weight318.31 g/mol
Exact Mass318.11
IUPAC Name1-[[5-fluoro-6-(1,2-oxazol-3-ylmethoxy)-1H-indol-2-yl]methyl]-3-methylurea
SMILESCNC(=O)NCc1cc2cc(F)c(OCc3ccon3)cc2[nH]1
InChIInChI=1S/C15H15FN4O3/c1-17-15(21)18-7-11-4-9-5-12(16)14(6-13(9)19-11)22-8-10-2-3-23-20-10/h2-6,19H,7-8H2,1H3,(H2,17,18,21)
InChIKeyFEEQMPRLOMZHQH-UHFFFAOYSA-N
XLogP2.30
TPSA92.18 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.31
LogP ≤ 52.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 1-[[5-fluoro-6-(1,2-oxazol-3-ylmethoxy)-1H-indol-2-yl]methyl]-3-methylurea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[[5-fluoro-6-(1,2-oxazol-3-ylmethoxy)-1H-indol-2-yl]methyl]-3-methylurea?
The IUPAC name of 1-[[5-fluoro-6-(1,2-oxazol-3-ylmethoxy)-1H-indol-2-yl]methyl]-3-methylurea (CID 171517843) is 1-[[5-fluoro-6-(1,2-oxazol-3-ylmethoxy)-1H-indol-2-yl]methyl]-3-methylurea.
What is the SMILES notation for 1-[[5-fluoro-6-(1,2-oxazol-3-ylmethoxy)-1H-indol-2-yl]methyl]-3-methylurea?
The canonical SMILES for 1-[[5-fluoro-6-(1,2-oxazol-3-ylmethoxy)-1H-indol-2-yl]methyl]-3-methylurea is CNC(=O)NCc1cc2cc(F)c(OCc3ccon3)cc2[nH]1.
What is the InChIKey of 1-[[5-fluoro-6-(1,2-oxazol-3-ylmethoxy)-1H-indol-2-yl]methyl]-3-methylurea?
The InChIKey is FEEQMPRLOMZHQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN4O3/c1-17-15(21)18-7-11-4-9-5-12(16)14(6-13(9)19-11)22-8-10-2-3-23-20-10/h2-6,19H,7-8H2,1H3,(H2,17,18,21).
What are the key properties of 1-[[5-fluoro-6-(1,2-oxazol-3-ylmethoxy)-1H-indol-2-yl]methyl]-3-methylurea?
1-[[5-fluoro-6-(1,2-oxazol-3-ylmethoxy)-1H-indol-2-yl]methyl]-3-methylurea has a molecular weight of 318.31 g/mol, XLogP of 2.30, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[5-fluoro-6-(1,2-oxazol-3-ylmethoxy)-1H-indol-2-yl]methyl]-3-methylurea is sourced from PubChem (CID 171517843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).