1-ethyl-3-[[(2S)-oxan-2-yl]methyl]-1-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]urea

C15H26N4O3 — CID 126443340

IUPAC1-ethyl-3-[[(2S)-oxan-2-yl]methyl]-1-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]urea
SMILESCCCc1nc(CN(CC)C(=O)NC[C@@H]2CCCCO2)no1
InChIInChI=1S/C15H26N4O3/c1-3-7-14-17-13(18-22-14)11-19(4-2)15(20)16-10-12-8-5-6-9-21-12/h12H,3-11H2,1-2H3,(H,16,20)/t12-/m0/s1
InChIKeyDXJMOJZSFRLXRJ-LBPRGKRZSA-N
MW310.40 g/mol
LogP2.12
Rot. Bonds7

About 1-ethyl-3-[[(2S)-oxan-2-yl]methyl]-1-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]urea

1-ethyl-3-[[(2S)-oxan-2-yl]methyl]-1-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]urea (PubChem CID 126443340) has the molecular formula C15H26N4O3 and a molecular weight of 310.40 g/mol. Its IUPAC name is 1-ethyl-3-[[(2S)-oxan-2-yl]methyl]-1-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]urea.

Molecular Properties

Compound Name1-ethyl-3-[[(2S)-oxan-2-yl]methyl]-1-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]urea
PubChem CID126443340
Molecular FormulaC15H26N4O3
Molecular Weight310.40 g/mol
Exact Mass310.20
IUPAC Name1-ethyl-3-[[(2S)-oxan-2-yl]methyl]-1-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]urea
SMILESCCCc1nc(CN(CC)C(=O)NC[C@@H]2CCCCO2)no1
InChIInChI=1S/C15H26N4O3/c1-3-7-14-17-13(18-22-14)11-19(4-2)15(20)16-10-12-8-5-6-9-21-12/h12H,3-11H2,1-2H3,(H,16,20)/t12-/m0/s1
InChIKeyDXJMOJZSFRLXRJ-LBPRGKRZSA-N
XLogP2.12
TPSA80.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-[[(2S)-oxan-2-yl]methyl]-1-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]urea?
The IUPAC name of 1-ethyl-3-[[(2S)-oxan-2-yl]methyl]-1-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]urea (CID 126443340) is 1-ethyl-3-[[(2S)-oxan-2-yl]methyl]-1-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]urea.
What is the SMILES notation for 1-ethyl-3-[[(2S)-oxan-2-yl]methyl]-1-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]urea?
The canonical SMILES for 1-ethyl-3-[[(2S)-oxan-2-yl]methyl]-1-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]urea is CCCc1nc(CN(CC)C(=O)NC[C@@H]2CCCCO2)no1.
What is the InChIKey of 1-ethyl-3-[[(2S)-oxan-2-yl]methyl]-1-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]urea?
The InChIKey is DXJMOJZSFRLXRJ-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H26N4O3/c1-3-7-14-17-13(18-22-14)11-19(4-2)15(20)16-10-12-8-5-6-9-21-12/h12H,3-11H2,1-2H3,(H,16,20)/t12-/m0/s1.
What are the key properties of 1-ethyl-3-[[(2S)-oxan-2-yl]methyl]-1-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]urea?
1-ethyl-3-[[(2S)-oxan-2-yl]methyl]-1-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]urea has a molecular weight of 310.40 g/mol, XLogP of 2.12, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-[[(2S)-oxan-2-yl]methyl]-1-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]urea is sourced from PubChem (CID 126443340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).