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

C17H22N4O2 — CID 56823999

IUPAC1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-3-(4-phenylcyclohexyl)urea
SMILESCc1noc(CNC(=O)NC2CCC(c3ccccc3)CC2)n1
InChIInChI=1S/C17H22N4O2/c1-12-19-16(23-21-12)11-18-17(22)20-15-9-7-14(8-10-15)13-5-3-2-4-6-13/h2-6,14-15H,7-11H2,1H3,(H2,18,20,22)
InChIKeyIEKUYVCPOQWOIN-UHFFFAOYSA-N
MW314.39 g/mol
LogP2.90
Rot. Bonds4

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

1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-3-(4-phenylcyclohexyl)urea (PubChem CID 56823999) has the molecular formula C17H22N4O2 and a molecular weight of 314.39 g/mol. Its IUPAC name is 1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-3-(4-phenylcyclohexyl)urea.

Molecular Properties

Compound Name1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-3-(4-phenylcyclohexyl)urea
PubChem CID56823999
Molecular FormulaC17H22N4O2
Molecular Weight314.39 g/mol
Exact Mass314.17
IUPAC Name1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-3-(4-phenylcyclohexyl)urea
SMILESCc1noc(CNC(=O)NC2CCC(c3ccccc3)CC2)n1
InChIInChI=1S/C17H22N4O2/c1-12-19-16(23-21-12)11-18-17(22)20-15-9-7-14(8-10-15)13-5-3-2-4-6-13/h2-6,14-15H,7-11H2,1H3,(H2,18,20,22)
InChIKeyIEKUYVCPOQWOIN-UHFFFAOYSA-N
XLogP2.90
TPSA80.05 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-cyclopropyl-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]urea
CID 115578476
1-[(2-methylpyrimidin-4-yl)methyl]-3-(4-phenylcyclohexyl)urea
CID 126768193
1-(2-hydroxyethyl)-3-(4-phenylcyclohexyl)urea
CID 110894206
2-(cyclopropylamino)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]acetamide
CID 61014873
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(4-phenylcyclohexyl)acetamide
CID 51646513
1-[(5R)-8-fluoro-2,3,4,5-tetrahydro-1-benzoxepin-5-yl]-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]urea
CID 97338167
1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-3-[[1-(2-phenylethyl)pyrrolidin-3-yl]methyl]urea
CID 138042011
4-[[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]methylcarbamoylamino]cyclohexane-1-carboxylic acid
CID 122012217
4-[hydroxy(phenyl)methyl]-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-1-carboxamide
CID 110924276
N-[(4-methoxyphenyl)methyl]-2-[(4-phenylcyclohexyl)carbamoylamino]acetamide
CID 48515720
cis-(1S,3R)-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methylcarbamoyl]cyclopentane-1-carboxylic acid
CID 114092025
3-[(3-methyl-1,2,4-oxadiazol-5-yl)methylcarbamoyl]cyclopentane-1-carboxylic acid
CID 103550470

Frequently Asked Questions

What is the IUPAC name of 1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-3-(4-phenylcyclohexyl)urea?
The IUPAC name of 1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-3-(4-phenylcyclohexyl)urea (CID 56823999) is 1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-3-(4-phenylcyclohexyl)urea.
What is the SMILES notation for 1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-3-(4-phenylcyclohexyl)urea?
The canonical SMILES for 1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-3-(4-phenylcyclohexyl)urea is Cc1noc(CNC(=O)NC2CCC(c3ccccc3)CC2)n1.
What is the InChIKey of 1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-3-(4-phenylcyclohexyl)urea?
The InChIKey is IEKUYVCPOQWOIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O2/c1-12-19-16(23-21-12)11-18-17(22)20-15-9-7-14(8-10-15)13-5-3-2-4-6-13/h2-6,14-15H,7-11H2,1H3,(H2,18,20,22).
What are the key properties of 1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-3-(4-phenylcyclohexyl)urea?
1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-3-(4-phenylcyclohexyl)urea has a molecular weight of 314.39 g/mol, XLogP of 2.90, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-3-(4-phenylcyclohexyl)urea is sourced from PubChem (CID 56823999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).