3-[(1R)-1-cyclopentylethyl]-1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-1-methylurea

C14H24N4O2 — CID 125448064

IUPAC3-[(1R)-1-cyclopentylethyl]-1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-1-methylurea
SMILESCCc1nnc(CN(C)C(=O)N[C@H](C)C2CCCC2)o1
InChIInChI=1S/C14H24N4O2/c1-4-12-16-17-13(20-12)9-18(3)14(19)15-10(2)11-7-5-6-8-11/h10-11H,4-9H2,1-3H3,(H,15,19)/t10-/m1/s1
InChIKeyOTSVGRXAHLUQLL-SNVBAGLBSA-N
MW280.37 g/mol
LogP2.35
Rot. Bonds5

About 3-[(1R)-1-cyclopentylethyl]-1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-1-methylurea

3-[(1R)-1-cyclopentylethyl]-1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-1-methylurea (PubChem CID 125448064) has the molecular formula C14H24N4O2 and a molecular weight of 280.37 g/mol. Its IUPAC name is 3-[(1R)-1-cyclopentylethyl]-1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-1-methylurea.

Molecular Properties

Compound Name3-[(1R)-1-cyclopentylethyl]-1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-1-methylurea
PubChem CID125448064
Molecular FormulaC14H24N4O2
Molecular Weight280.37 g/mol
Exact Mass280.19
IUPAC Name3-[(1R)-1-cyclopentylethyl]-1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-1-methylurea
SMILESCCc1nnc(CN(C)C(=O)N[C@H](C)C2CCCC2)o1
InChIInChI=1S/C14H24N4O2/c1-4-12-16-17-13(20-12)9-18(3)14(19)15-10(2)11-7-5-6-8-11/h10-11H,4-9H2,1-3H3,(H,15,19)/t10-/m1/s1
InChIKeyOTSVGRXAHLUQLL-SNVBAGLBSA-N
XLogP2.35
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(1R)-1-cyclopentylethyl]-1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-1-methylurea?
The IUPAC name of 3-[(1R)-1-cyclopentylethyl]-1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-1-methylurea (CID 125448064) is 3-[(1R)-1-cyclopentylethyl]-1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-1-methylurea.
What is the SMILES notation for 3-[(1R)-1-cyclopentylethyl]-1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-1-methylurea?
The canonical SMILES for 3-[(1R)-1-cyclopentylethyl]-1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-1-methylurea is CCc1nnc(CN(C)C(=O)N[C@H](C)C2CCCC2)o1.
What is the InChIKey of 3-[(1R)-1-cyclopentylethyl]-1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-1-methylurea?
The InChIKey is OTSVGRXAHLUQLL-SNVBAGLBSA-N. The full InChI is InChI=1S/C14H24N4O2/c1-4-12-16-17-13(20-12)9-18(3)14(19)15-10(2)11-7-5-6-8-11/h10-11H,4-9H2,1-3H3,(H,15,19)/t10-/m1/s1.
What are the key properties of 3-[(1R)-1-cyclopentylethyl]-1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-1-methylurea?
3-[(1R)-1-cyclopentylethyl]-1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-1-methylurea has a molecular weight of 280.37 g/mol, XLogP of 2.35, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1R)-1-cyclopentylethyl]-1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-1-methylurea is sourced from PubChem (CID 125448064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).