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

C20H24N2O4 — CID 14529604

IUPAC4-(2-methylpropyl)-2-[4-[4-(2-methylpropyl)-5-oxo-4H-1,3-oxazol-2-yl]phenyl]-4H-1,3-oxazol-5-one
SMILESCC(C)CC1N=C(c2ccc(C3=NC(CC(C)C)C(=O)O3)cc2)OC1=O
InChIInChI=1S/C20H24N2O4/c1-11(2)9-15-19(23)25-17(21-15)13-5-7-14(8-6-13)18-22-16(10-12(3)4)20(24)26-18/h5-8,11-12,15-16H,9-10H2,1-4H3
InChIKeyCWSQHIFYUFIBTO-UHFFFAOYSA-N
MW356.42 g/mol
LogP3.12
Rot. Bonds6

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

4-(2-methylpropyl)-2-[4-[4-(2-methylpropyl)-5-oxo-4H-1,3-oxazol-2-yl]phenyl]-4H-1,3-oxazol-5-one (PubChem CID 14529604) has the molecular formula C20H24N2O4 and a molecular weight of 356.42 g/mol. Its IUPAC name is 4-(2-methylpropyl)-2-[4-[4-(2-methylpropyl)-5-oxo-4H-1,3-oxazol-2-yl]phenyl]-4H-1,3-oxazol-5-one.

Molecular Properties

Compound Name4-(2-methylpropyl)-2-[4-[4-(2-methylpropyl)-5-oxo-4H-1,3-oxazol-2-yl]phenyl]-4H-1,3-oxazol-5-one
PubChem CID14529604
Molecular FormulaC20H24N2O4
Molecular Weight356.42 g/mol
Exact Mass356.17
IUPAC Name4-(2-methylpropyl)-2-[4-[4-(2-methylpropyl)-5-oxo-4H-1,3-oxazol-2-yl]phenyl]-4H-1,3-oxazol-5-one
SMILESCC(C)CC1N=C(c2ccc(C3=NC(CC(C)C)C(=O)O3)cc2)OC1=O
InChIInChI=1S/C20H24N2O4/c1-11(2)9-15-19(23)25-17(21-15)13-5-7-14(8-6-13)18-22-16(10-12(3)4)20(24)26-18/h5-8,11-12,15-16H,9-10H2,1-4H3
InChIKeyCWSQHIFYUFIBTO-UHFFFAOYSA-N
XLogP3.12
TPSA77.32 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.42
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(2-methylpropyl)-2-[4-[4-(2-methylpropyl)-5-oxo-4H-1,3-oxazol-2-yl]phenyl]-4H-1,3-oxazol-5-one?
The IUPAC name of 4-(2-methylpropyl)-2-[4-[4-(2-methylpropyl)-5-oxo-4H-1,3-oxazol-2-yl]phenyl]-4H-1,3-oxazol-5-one (CID 14529604) is 4-(2-methylpropyl)-2-[4-[4-(2-methylpropyl)-5-oxo-4H-1,3-oxazol-2-yl]phenyl]-4H-1,3-oxazol-5-one.
What is the SMILES notation for 4-(2-methylpropyl)-2-[4-[4-(2-methylpropyl)-5-oxo-4H-1,3-oxazol-2-yl]phenyl]-4H-1,3-oxazol-5-one?
The canonical SMILES for 4-(2-methylpropyl)-2-[4-[4-(2-methylpropyl)-5-oxo-4H-1,3-oxazol-2-yl]phenyl]-4H-1,3-oxazol-5-one is CC(C)CC1N=C(c2ccc(C3=NC(CC(C)C)C(=O)O3)cc2)OC1=O.
What is the InChIKey of 4-(2-methylpropyl)-2-[4-[4-(2-methylpropyl)-5-oxo-4H-1,3-oxazol-2-yl]phenyl]-4H-1,3-oxazol-5-one?
The InChIKey is CWSQHIFYUFIBTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O4/c1-11(2)9-15-19(23)25-17(21-15)13-5-7-14(8-6-13)18-22-16(10-12(3)4)20(24)26-18/h5-8,11-12,15-16H,9-10H2,1-4H3.
What are the key properties of 4-(2-methylpropyl)-2-[4-[4-(2-methylpropyl)-5-oxo-4H-1,3-oxazol-2-yl]phenyl]-4H-1,3-oxazol-5-one?
4-(2-methylpropyl)-2-[4-[4-(2-methylpropyl)-5-oxo-4H-1,3-oxazol-2-yl]phenyl]-4H-1,3-oxazol-5-one has a molecular weight of 356.42 g/mol, XLogP of 3.12, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylpropyl)-2-[4-[4-(2-methylpropyl)-5-oxo-4H-1,3-oxazol-2-yl]phenyl]-4H-1,3-oxazol-5-one is sourced from PubChem (CID 14529604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).