1-cyclohexyl-3-[2-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]ethyl]urea

C13H22N4O3 — CID 91907309

IUPAC1-cyclohexyl-3-[2-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]ethyl]urea
SMILESCOCc1nc(CCNC(=O)NC2CCCCC2)no1
InChIInChI=1S/C13H22N4O3/c1-19-9-12-16-11(17-20-12)7-8-14-13(18)15-10-5-3-2-4-6-10/h10H,2-9H2,1H3,(H2,14,15,18)
InChIKeyCRRFWVZFBKFTJT-UHFFFAOYSA-N
MW282.34 g/mol
LogP1.39
Rot. Bonds6

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

1-cyclohexyl-3-[2-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]ethyl]urea (PubChem CID 91907309) has the molecular formula C13H22N4O3 and a molecular weight of 282.34 g/mol. Its IUPAC name is 1-cyclohexyl-3-[2-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]ethyl]urea.

Molecular Properties

Compound Name1-cyclohexyl-3-[2-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]ethyl]urea
PubChem CID91907309
Molecular FormulaC13H22N4O3
Molecular Weight282.34 g/mol
Exact Mass282.17
IUPAC Name1-cyclohexyl-3-[2-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]ethyl]urea
SMILESCOCc1nc(CCNC(=O)NC2CCCCC2)no1
InChIInChI=1S/C13H22N4O3/c1-19-9-12-16-11(17-20-12)7-8-14-13(18)15-10-5-3-2-4-6-10/h10H,2-9H2,1H3,(H2,14,15,18)
InChIKeyCRRFWVZFBKFTJT-UHFFFAOYSA-N
XLogP1.39
TPSA89.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-[2-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]ethyl]urea?
The IUPAC name of 1-cyclohexyl-3-[2-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]ethyl]urea (CID 91907309) is 1-cyclohexyl-3-[2-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]ethyl]urea.
What is the SMILES notation for 1-cyclohexyl-3-[2-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]ethyl]urea?
The canonical SMILES for 1-cyclohexyl-3-[2-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]ethyl]urea is COCc1nc(CCNC(=O)NC2CCCCC2)no1.
What is the InChIKey of 1-cyclohexyl-3-[2-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]ethyl]urea?
The InChIKey is CRRFWVZFBKFTJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O3/c1-19-9-12-16-11(17-20-12)7-8-14-13(18)15-10-5-3-2-4-6-10/h10H,2-9H2,1H3,(H2,14,15,18).
What are the key properties of 1-cyclohexyl-3-[2-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]ethyl]urea?
1-cyclohexyl-3-[2-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]ethyl]urea has a molecular weight of 282.34 g/mol, XLogP of 1.39, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-[2-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]ethyl]urea is sourced from PubChem (CID 91907309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).