4-(2-methylpropyl)-2-[6-[4-(2-methylpropyl)-5-oxo-4H-1,3-oxazol-2-yl]hexyl]-4H-1,3-oxazol-5-one

C20H32N2O4 — CID 19078048

IUPAC4-(2-methylpropyl)-2-[6-[4-(2-methylpropyl)-5-oxo-4H-1,3-oxazol-2-yl]hexyl]-4H-1,3-oxazol-5-one
SMILESCC(C)CC1N=C(CCCCCCC2=NC(CC(C)C)C(=O)O2)OC1=O
InChIInChI=1S/C20H32N2O4/c1-13(2)11-15-19(23)25-17(21-15)9-7-5-6-8-10-18-22-16(12-14(3)4)20(24)26-18/h13-16H,5-12H2,1-4H3
InChIKeyGZQTUSFXPKQVPG-UHFFFAOYSA-N
MW364.49 g/mol
LogP4.07
Rot. Bonds11

About 4-(2-methylpropyl)-2-[6-[4-(2-methylpropyl)-5-oxo-4H-1,3-oxazol-2-yl]hexyl]-4H-1,3-oxazol-5-one

4-(2-methylpropyl)-2-[6-[4-(2-methylpropyl)-5-oxo-4H-1,3-oxazol-2-yl]hexyl]-4H-1,3-oxazol-5-one (PubChem CID 19078048) has the molecular formula C20H32N2O4 and a molecular weight of 364.49 g/mol. Its IUPAC name is 4-(2-methylpropyl)-2-[6-[4-(2-methylpropyl)-5-oxo-4H-1,3-oxazol-2-yl]hexyl]-4H-1,3-oxazol-5-one.

Molecular Properties

Compound Name4-(2-methylpropyl)-2-[6-[4-(2-methylpropyl)-5-oxo-4H-1,3-oxazol-2-yl]hexyl]-4H-1,3-oxazol-5-one
PubChem CID19078048
Molecular FormulaC20H32N2O4
Molecular Weight364.49 g/mol
Exact Mass364.24
IUPAC Name4-(2-methylpropyl)-2-[6-[4-(2-methylpropyl)-5-oxo-4H-1,3-oxazol-2-yl]hexyl]-4H-1,3-oxazol-5-one
SMILESCC(C)CC1N=C(CCCCCCC2=NC(CC(C)C)C(=O)O2)OC1=O
InChIInChI=1S/C20H32N2O4/c1-13(2)11-15-19(23)25-17(21-15)9-7-5-6-8-10-18-22-16(12-14(3)4)20(24)26-18/h13-16H,5-12H2,1-4H3
InChIKeyGZQTUSFXPKQVPG-UHFFFAOYSA-N
XLogP4.07
TPSA77.32 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.49
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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 4-(2-methylpropyl)-2-[6-[4-(2-methylpropyl)-5-oxo-4H-1,3-oxazol-2-yl]hexyl]-4H-1,3-oxazol-5-one?
The IUPAC name of 4-(2-methylpropyl)-2-[6-[4-(2-methylpropyl)-5-oxo-4H-1,3-oxazol-2-yl]hexyl]-4H-1,3-oxazol-5-one (CID 19078048) is 4-(2-methylpropyl)-2-[6-[4-(2-methylpropyl)-5-oxo-4H-1,3-oxazol-2-yl]hexyl]-4H-1,3-oxazol-5-one.
What is the SMILES notation for 4-(2-methylpropyl)-2-[6-[4-(2-methylpropyl)-5-oxo-4H-1,3-oxazol-2-yl]hexyl]-4H-1,3-oxazol-5-one?
The canonical SMILES for 4-(2-methylpropyl)-2-[6-[4-(2-methylpropyl)-5-oxo-4H-1,3-oxazol-2-yl]hexyl]-4H-1,3-oxazol-5-one is CC(C)CC1N=C(CCCCCCC2=NC(CC(C)C)C(=O)O2)OC1=O.
What is the InChIKey of 4-(2-methylpropyl)-2-[6-[4-(2-methylpropyl)-5-oxo-4H-1,3-oxazol-2-yl]hexyl]-4H-1,3-oxazol-5-one?
The InChIKey is GZQTUSFXPKQVPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N2O4/c1-13(2)11-15-19(23)25-17(21-15)9-7-5-6-8-10-18-22-16(12-14(3)4)20(24)26-18/h13-16H,5-12H2,1-4H3.
What are the key properties of 4-(2-methylpropyl)-2-[6-[4-(2-methylpropyl)-5-oxo-4H-1,3-oxazol-2-yl]hexyl]-4H-1,3-oxazol-5-one?
4-(2-methylpropyl)-2-[6-[4-(2-methylpropyl)-5-oxo-4H-1,3-oxazol-2-yl]hexyl]-4H-1,3-oxazol-5-one has a molecular weight of 364.49 g/mol, XLogP of 4.07, 11 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylpropyl)-2-[6-[4-(2-methylpropyl)-5-oxo-4H-1,3-oxazol-2-yl]hexyl]-4H-1,3-oxazol-5-one is sourced from PubChem (CID 19078048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).