1-[1-(2-methoxyethyl)indol-6-yl]-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]urea

C16H19N5O3 — CID 75440816

IUPAC1-[1-(2-methoxyethyl)indol-6-yl]-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]urea
SMILESCOCCn1ccc2ccc(NC(=O)NCc3noc(C)n3)cc21
InChIInChI=1S/C16H19N5O3/c1-11-18-15(20-24-11)10-17-16(22)19-13-4-3-12-5-6-21(7-8-23-2)14(12)9-13/h3-6,9H,7-8,10H2,1-2H3,(H2,17,19,22)
InChIKeyVWSKZCAHEURTSP-UHFFFAOYSA-N
MW329.36 g/mol
LogP2.30
Rot. Bonds6

About 1-[1-(2-methoxyethyl)indol-6-yl]-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]urea

1-[1-(2-methoxyethyl)indol-6-yl]-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]urea (PubChem CID 75440816) has the molecular formula C16H19N5O3 and a molecular weight of 329.36 g/mol. Its IUPAC name is 1-[1-(2-methoxyethyl)indol-6-yl]-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]urea.

Molecular Properties

Compound Name1-[1-(2-methoxyethyl)indol-6-yl]-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]urea
PubChem CID75440816
Molecular FormulaC16H19N5O3
Molecular Weight329.36 g/mol
Exact Mass329.15
IUPAC Name1-[1-(2-methoxyethyl)indol-6-yl]-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]urea
SMILESCOCCn1ccc2ccc(NC(=O)NCc3noc(C)n3)cc21
InChIInChI=1S/C16H19N5O3/c1-11-18-15(20-24-11)10-17-16(22)19-13-4-3-12-5-6-21(7-8-23-2)14(12)9-13/h3-6,9H,7-8,10H2,1-2H3,(H2,17,19,22)
InChIKeyVWSKZCAHEURTSP-UHFFFAOYSA-N
XLogP2.30
TPSA94.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.36
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-[1-(2-methoxyethyl)indol-6-yl]-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]urea 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-[1-(2-methoxyethyl)indol-6-yl]-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]urea?
The IUPAC name of 1-[1-(2-methoxyethyl)indol-6-yl]-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]urea (CID 75440816) is 1-[1-(2-methoxyethyl)indol-6-yl]-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]urea.
What is the SMILES notation for 1-[1-(2-methoxyethyl)indol-6-yl]-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]urea?
The canonical SMILES for 1-[1-(2-methoxyethyl)indol-6-yl]-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]urea is COCCn1ccc2ccc(NC(=O)NCc3noc(C)n3)cc21.
What is the InChIKey of 1-[1-(2-methoxyethyl)indol-6-yl]-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]urea?
The InChIKey is VWSKZCAHEURTSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5O3/c1-11-18-15(20-24-11)10-17-16(22)19-13-4-3-12-5-6-21(7-8-23-2)14(12)9-13/h3-6,9H,7-8,10H2,1-2H3,(H2,17,19,22).
What are the key properties of 1-[1-(2-methoxyethyl)indol-6-yl]-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]urea?
1-[1-(2-methoxyethyl)indol-6-yl]-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]urea has a molecular weight of 329.36 g/mol, XLogP of 2.30, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-methoxyethyl)indol-6-yl]-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]urea is sourced from PubChem (CID 75440816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).