1-(2,3-dihydro-1H-inden-5-yl)-3-[4-(3-methyl-1,2,4-oxadiazol-5-yl)cyclohexyl]urea

C19H24N4O2 — CID 166231963

IUPAC1-(2,3-dihydro-1H-inden-5-yl)-3-[4-(3-methyl-1,2,4-oxadiazol-5-yl)cyclohexyl]urea
SMILESCc1noc(C2CCC(NC(=O)Nc3ccc4c(c3)CCC4)CC2)n1
InChIInChI=1S/C19H24N4O2/c1-12-20-18(25-23-12)14-6-8-16(9-7-14)21-19(24)22-17-10-5-13-3-2-4-15(13)11-17/h5,10-11,14,16H,2-4,6-9H2,1H3,(H2,21,22,24)
InChIKeyLECFCYXYZFLYDL-UHFFFAOYSA-N
MW340.43 g/mol
LogP3.71
Rot. Bonds3

About 1-(2,3-dihydro-1H-inden-5-yl)-3-[4-(3-methyl-1,2,4-oxadiazol-5-yl)cyclohexyl]urea

1-(2,3-dihydro-1H-inden-5-yl)-3-[4-(3-methyl-1,2,4-oxadiazol-5-yl)cyclohexyl]urea (PubChem CID 166231963) has the molecular formula C19H24N4O2 and a molecular weight of 340.43 g/mol. Its IUPAC name is 1-(2,3-dihydro-1H-inden-5-yl)-3-[4-(3-methyl-1,2,4-oxadiazol-5-yl)cyclohexyl]urea.

Molecular Properties

Compound Name1-(2,3-dihydro-1H-inden-5-yl)-3-[4-(3-methyl-1,2,4-oxadiazol-5-yl)cyclohexyl]urea
PubChem CID166231963
Molecular FormulaC19H24N4O2
Molecular Weight340.43 g/mol
Exact Mass340.19
IUPAC Name1-(2,3-dihydro-1H-inden-5-yl)-3-[4-(3-methyl-1,2,4-oxadiazol-5-yl)cyclohexyl]urea
SMILESCc1noc(C2CCC(NC(=O)Nc3ccc4c(c3)CCC4)CC2)n1
InChIInChI=1S/C19H24N4O2/c1-12-20-18(25-23-12)14-6-8-16(9-7-14)21-19(24)22-17-10-5-13-3-2-4-15(13)11-17/h5,10-11,14,16H,2-4,6-9H2,1H3,(H2,21,22,24)
InChIKeyLECFCYXYZFLYDL-UHFFFAOYSA-N
XLogP3.71
TPSA80.05 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1H-inden-5-yl)-3-[4-(3-methyl-1,2,4-oxadiazol-5-yl)cyclohexyl]urea?
The IUPAC name of 1-(2,3-dihydro-1H-inden-5-yl)-3-[4-(3-methyl-1,2,4-oxadiazol-5-yl)cyclohexyl]urea (CID 166231963) is 1-(2,3-dihydro-1H-inden-5-yl)-3-[4-(3-methyl-1,2,4-oxadiazol-5-yl)cyclohexyl]urea.
What is the SMILES notation for 1-(2,3-dihydro-1H-inden-5-yl)-3-[4-(3-methyl-1,2,4-oxadiazol-5-yl)cyclohexyl]urea?
The canonical SMILES for 1-(2,3-dihydro-1H-inden-5-yl)-3-[4-(3-methyl-1,2,4-oxadiazol-5-yl)cyclohexyl]urea is Cc1noc(C2CCC(NC(=O)Nc3ccc4c(c3)CCC4)CC2)n1.
What is the InChIKey of 1-(2,3-dihydro-1H-inden-5-yl)-3-[4-(3-methyl-1,2,4-oxadiazol-5-yl)cyclohexyl]urea?
The InChIKey is LECFCYXYZFLYDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O2/c1-12-20-18(25-23-12)14-6-8-16(9-7-14)21-19(24)22-17-10-5-13-3-2-4-15(13)11-17/h5,10-11,14,16H,2-4,6-9H2,1H3,(H2,21,22,24).
What are the key properties of 1-(2,3-dihydro-1H-inden-5-yl)-3-[4-(3-methyl-1,2,4-oxadiazol-5-yl)cyclohexyl]urea?
1-(2,3-dihydro-1H-inden-5-yl)-3-[4-(3-methyl-1,2,4-oxadiazol-5-yl)cyclohexyl]urea has a molecular weight of 340.43 g/mol, XLogP of 3.71, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1H-inden-5-yl)-3-[4-(3-methyl-1,2,4-oxadiazol-5-yl)cyclohexyl]urea is sourced from PubChem (CID 166231963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).