1-(1-ethyl-2-methylindol-5-yl)-3-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]urea

C17H21N5O2 — CID 118782846

IUPAC1-(1-ethyl-2-methylindol-5-yl)-3-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]urea
SMILESCCc1nnc(CNC(=O)Nc2ccc3c(c2)cc(C)n3CC)o1
InChIInChI=1S/C17H21N5O2/c1-4-15-20-21-16(24-15)10-18-17(23)19-13-6-7-14-12(9-13)8-11(3)22(14)5-2/h6-9H,4-5,10H2,1-3H3,(H2,18,19,23)
InChIKeyGWYHMXGSWRDACX-UHFFFAOYSA-N
MW327.39 g/mol
LogP3.24
Rot. Bonds5

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

1-(1-ethyl-2-methylindol-5-yl)-3-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]urea (PubChem CID 118782846) has the molecular formula C17H21N5O2 and a molecular weight of 327.39 g/mol. Its IUPAC name is 1-(1-ethyl-2-methylindol-5-yl)-3-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]urea.

Molecular Properties

Compound Name1-(1-ethyl-2-methylindol-5-yl)-3-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]urea
PubChem CID118782846
Molecular FormulaC17H21N5O2
Molecular Weight327.39 g/mol
Exact Mass327.17
IUPAC Name1-(1-ethyl-2-methylindol-5-yl)-3-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]urea
SMILESCCc1nnc(CNC(=O)Nc2ccc3c(c2)cc(C)n3CC)o1
InChIInChI=1S/C17H21N5O2/c1-4-15-20-21-16(24-15)10-18-17(23)19-13-6-7-14-12(9-13)8-11(3)22(14)5-2/h6-9H,4-5,10H2,1-3H3,(H2,18,19,23)
InChIKeyGWYHMXGSWRDACX-UHFFFAOYSA-N
XLogP3.24
TPSA84.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.39
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(1-ethyl-2-methylindol-5-yl)-3-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]urea?
The IUPAC name of 1-(1-ethyl-2-methylindol-5-yl)-3-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]urea (CID 118782846) is 1-(1-ethyl-2-methylindol-5-yl)-3-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]urea.
What is the SMILES notation for 1-(1-ethyl-2-methylindol-5-yl)-3-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]urea?
The canonical SMILES for 1-(1-ethyl-2-methylindol-5-yl)-3-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]urea is CCc1nnc(CNC(=O)Nc2ccc3c(c2)cc(C)n3CC)o1.
What is the InChIKey of 1-(1-ethyl-2-methylindol-5-yl)-3-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]urea?
The InChIKey is GWYHMXGSWRDACX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5O2/c1-4-15-20-21-16(24-15)10-18-17(23)19-13-6-7-14-12(9-13)8-11(3)22(14)5-2/h6-9H,4-5,10H2,1-3H3,(H2,18,19,23).
What are the key properties of 1-(1-ethyl-2-methylindol-5-yl)-3-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]urea?
1-(1-ethyl-2-methylindol-5-yl)-3-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]urea has a molecular weight of 327.39 g/mol, XLogP of 3.24, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethyl-2-methylindol-5-yl)-3-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]urea is sourced from PubChem (CID 118782846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).