1-cyclobutyl-3-[4-[1-cyclobutyl-6-ethoxy-3-(1,2-oxazol-3-yl)indol-2-yl]phenyl]urea

C28H30N4O3 — CID 59430633

IUPAC1-cyclobutyl-3-[4-[1-cyclobutyl-6-ethoxy-3-(1,2-oxazol-3-yl)indol-2-yl]phenyl]urea
SMILESCCOc1ccc2c(-c3ccon3)c(-c3ccc(NC(=O)NC4CCC4)cc3)n(C3CCC3)c2c1
InChIInChI=1S/C28H30N4O3/c1-2-34-22-13-14-23-25(17-22)32(21-7-4-8-21)27(26(23)24-15-16-35-31-24)18-9-11-20(12-10-18)30-28(33)29-19-5-3-6-19/h9-17,19,21H,2-8H2,1H3,(H2,29,30,33)
InChIKeyFHFQAALORSWWRQ-UHFFFAOYSA-N
MW470.57 g/mol
LogP6.76
Rot. Bonds7

About 1-cyclobutyl-3-[4-[1-cyclobutyl-6-ethoxy-3-(1,2-oxazol-3-yl)indol-2-yl]phenyl]urea

1-cyclobutyl-3-[4-[1-cyclobutyl-6-ethoxy-3-(1,2-oxazol-3-yl)indol-2-yl]phenyl]urea (PubChem CID 59430633) has the molecular formula C28H30N4O3 and a molecular weight of 470.57 g/mol. Its IUPAC name is 1-cyclobutyl-3-[4-[1-cyclobutyl-6-ethoxy-3-(1,2-oxazol-3-yl)indol-2-yl]phenyl]urea.

Molecular Properties

Compound Name1-cyclobutyl-3-[4-[1-cyclobutyl-6-ethoxy-3-(1,2-oxazol-3-yl)indol-2-yl]phenyl]urea
PubChem CID59430633
Molecular FormulaC28H30N4O3
Molecular Weight470.57 g/mol
Exact Mass470.23
IUPAC Name1-cyclobutyl-3-[4-[1-cyclobutyl-6-ethoxy-3-(1,2-oxazol-3-yl)indol-2-yl]phenyl]urea
SMILESCCOc1ccc2c(-c3ccon3)c(-c3ccc(NC(=O)NC4CCC4)cc3)n(C3CCC3)c2c1
InChIInChI=1S/C28H30N4O3/c1-2-34-22-13-14-23-25(17-22)32(21-7-4-8-21)27(26(23)24-15-16-35-31-24)18-9-11-20(12-10-18)30-28(33)29-19-5-3-6-19/h9-17,19,21H,2-8H2,1H3,(H2,29,30,33)
InChIKeyFHFQAALORSWWRQ-UHFFFAOYSA-N
XLogP6.76
TPSA81.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500470.57
LogP ≤ 56.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-cyclobutyl-3-[4-[1-cyclobutyl-6-ethoxy-3-(1,2-oxazol-3-yl)indol-2-yl]phenyl]urea?
The IUPAC name of 1-cyclobutyl-3-[4-[1-cyclobutyl-6-ethoxy-3-(1,2-oxazol-3-yl)indol-2-yl]phenyl]urea (CID 59430633) is 1-cyclobutyl-3-[4-[1-cyclobutyl-6-ethoxy-3-(1,2-oxazol-3-yl)indol-2-yl]phenyl]urea.
What is the SMILES notation for 1-cyclobutyl-3-[4-[1-cyclobutyl-6-ethoxy-3-(1,2-oxazol-3-yl)indol-2-yl]phenyl]urea?
The canonical SMILES for 1-cyclobutyl-3-[4-[1-cyclobutyl-6-ethoxy-3-(1,2-oxazol-3-yl)indol-2-yl]phenyl]urea is CCOc1ccc2c(-c3ccon3)c(-c3ccc(NC(=O)NC4CCC4)cc3)n(C3CCC3)c2c1.
What is the InChIKey of 1-cyclobutyl-3-[4-[1-cyclobutyl-6-ethoxy-3-(1,2-oxazol-3-yl)indol-2-yl]phenyl]urea?
The InChIKey is FHFQAALORSWWRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30N4O3/c1-2-34-22-13-14-23-25(17-22)32(21-7-4-8-21)27(26(23)24-15-16-35-31-24)18-9-11-20(12-10-18)30-28(33)29-19-5-3-6-19/h9-17,19,21H,2-8H2,1H3,(H2,29,30,33).
What are the key properties of 1-cyclobutyl-3-[4-[1-cyclobutyl-6-ethoxy-3-(1,2-oxazol-3-yl)indol-2-yl]phenyl]urea?
1-cyclobutyl-3-[4-[1-cyclobutyl-6-ethoxy-3-(1,2-oxazol-3-yl)indol-2-yl]phenyl]urea has a molecular weight of 470.57 g/mol, XLogP of 6.76, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclobutyl-3-[4-[1-cyclobutyl-6-ethoxy-3-(1,2-oxazol-3-yl)indol-2-yl]phenyl]urea is sourced from PubChem (CID 59430633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).