1-(1-methoxypropan-2-yl)-3-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propyl]urea

C13H24N4O3 — CID 60614468

IUPAC1-(1-methoxypropan-2-yl)-3-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propyl]urea
SMILESCOCC(C)NC(=O)NCCCc1nc(C(C)C)no1
InChIInChI=1S/C13H24N4O3/c1-9(2)12-16-11(20-17-12)6-5-7-14-13(18)15-10(3)8-19-4/h9-10H,5-8H2,1-4H3,(H2,14,15,18)
InChIKeyZKQIIGPPXIBAAP-UHFFFAOYSA-N
MW284.36 g/mol
LogP1.46
Rot. Bonds8

About 1-(1-methoxypropan-2-yl)-3-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propyl]urea

1-(1-methoxypropan-2-yl)-3-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propyl]urea (PubChem CID 60614468) has the molecular formula C13H24N4O3 and a molecular weight of 284.36 g/mol. Its IUPAC name is 1-(1-methoxypropan-2-yl)-3-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propyl]urea.

Molecular Properties

Compound Name1-(1-methoxypropan-2-yl)-3-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propyl]urea
PubChem CID60614468
Molecular FormulaC13H24N4O3
Molecular Weight284.36 g/mol
Exact Mass284.18
IUPAC Name1-(1-methoxypropan-2-yl)-3-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propyl]urea
SMILESCOCC(C)NC(=O)NCCCc1nc(C(C)C)no1
InChIInChI=1S/C13H24N4O3/c1-9(2)12-16-11(20-17-12)6-5-7-14-13(18)15-10(3)8-19-4/h9-10H,5-8H2,1-4H3,(H2,14,15,18)
InChIKeyZKQIIGPPXIBAAP-UHFFFAOYSA-N
XLogP1.46
TPSA89.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(1-methoxypropan-2-yl)-3-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propyl]urea?
The IUPAC name of 1-(1-methoxypropan-2-yl)-3-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propyl]urea (CID 60614468) is 1-(1-methoxypropan-2-yl)-3-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propyl]urea.
What is the SMILES notation for 1-(1-methoxypropan-2-yl)-3-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propyl]urea?
The canonical SMILES for 1-(1-methoxypropan-2-yl)-3-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propyl]urea is COCC(C)NC(=O)NCCCc1nc(C(C)C)no1.
What is the InChIKey of 1-(1-methoxypropan-2-yl)-3-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propyl]urea?
The InChIKey is ZKQIIGPPXIBAAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O3/c1-9(2)12-16-11(20-17-12)6-5-7-14-13(18)15-10(3)8-19-4/h9-10H,5-8H2,1-4H3,(H2,14,15,18).
What are the key properties of 1-(1-methoxypropan-2-yl)-3-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propyl]urea?
1-(1-methoxypropan-2-yl)-3-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propyl]urea has a molecular weight of 284.36 g/mol, XLogP of 1.46, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methoxypropan-2-yl)-3-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propyl]urea is sourced from PubChem (CID 60614468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).