4,5-dihydroxy-1-methyl-3-[5-(2-phenoxypropan-2-yl)-1,2-oxazol-3-yl]imidazolidin-2-one

C16H19N3O5 — CID 20560773

IUPAC4,5-dihydroxy-1-methyl-3-[5-(2-phenoxypropan-2-yl)-1,2-oxazol-3-yl]imidazolidin-2-one
SMILESCN1C(=O)N(c2cc(C(C)(C)Oc3ccccc3)on2)C(O)C1O
InChIInChI=1S/C16H19N3O5/c1-16(2,23-10-7-5-4-6-8-10)11-9-12(17-24-11)19-14(21)13(20)18(3)15(19)22/h4-9,13-14,20-21H,1-3H3
InChIKeyCWHMMKISNMXJJQ-UHFFFAOYSA-N
MW333.34 g/mol
LogP1.50
Rot. Bonds4

About 4,5-dihydroxy-1-methyl-3-[5-(2-phenoxypropan-2-yl)-1,2-oxazol-3-yl]imidazolidin-2-one

4,5-dihydroxy-1-methyl-3-[5-(2-phenoxypropan-2-yl)-1,2-oxazol-3-yl]imidazolidin-2-one (PubChem CID 20560773) has the molecular formula C16H19N3O5 and a molecular weight of 333.34 g/mol. Its IUPAC name is 4,5-dihydroxy-1-methyl-3-[5-(2-phenoxypropan-2-yl)-1,2-oxazol-3-yl]imidazolidin-2-one.

Molecular Properties

Compound Name4,5-dihydroxy-1-methyl-3-[5-(2-phenoxypropan-2-yl)-1,2-oxazol-3-yl]imidazolidin-2-one
PubChem CID20560773
Molecular FormulaC16H19N3O5
Molecular Weight333.34 g/mol
Exact Mass333.13
IUPAC Name4,5-dihydroxy-1-methyl-3-[5-(2-phenoxypropan-2-yl)-1,2-oxazol-3-yl]imidazolidin-2-one
SMILESCN1C(=O)N(c2cc(C(C)(C)Oc3ccccc3)on2)C(O)C1O
InChIInChI=1S/C16H19N3O5/c1-16(2,23-10-7-5-4-6-8-10)11-9-12(17-24-11)19-14(21)13(20)18(3)15(19)22/h4-9,13-14,20-21H,1-3H3
InChIKeyCWHMMKISNMXJJQ-UHFFFAOYSA-N
XLogP1.50
TPSA99.27 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.34
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4,5-dihydroxy-1-methyl-3-[5-(2-phenoxypropan-2-yl)-1,2-oxazol-3-yl]imidazolidin-2-one?
The IUPAC name of 4,5-dihydroxy-1-methyl-3-[5-(2-phenoxypropan-2-yl)-1,2-oxazol-3-yl]imidazolidin-2-one (CID 20560773) is 4,5-dihydroxy-1-methyl-3-[5-(2-phenoxypropan-2-yl)-1,2-oxazol-3-yl]imidazolidin-2-one.
What is the SMILES notation for 4,5-dihydroxy-1-methyl-3-[5-(2-phenoxypropan-2-yl)-1,2-oxazol-3-yl]imidazolidin-2-one?
The canonical SMILES for 4,5-dihydroxy-1-methyl-3-[5-(2-phenoxypropan-2-yl)-1,2-oxazol-3-yl]imidazolidin-2-one is CN1C(=O)N(c2cc(C(C)(C)Oc3ccccc3)on2)C(O)C1O.
What is the InChIKey of 4,5-dihydroxy-1-methyl-3-[5-(2-phenoxypropan-2-yl)-1,2-oxazol-3-yl]imidazolidin-2-one?
The InChIKey is CWHMMKISNMXJJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O5/c1-16(2,23-10-7-5-4-6-8-10)11-9-12(17-24-11)19-14(21)13(20)18(3)15(19)22/h4-9,13-14,20-21H,1-3H3.
What are the key properties of 4,5-dihydroxy-1-methyl-3-[5-(2-phenoxypropan-2-yl)-1,2-oxazol-3-yl]imidazolidin-2-one?
4,5-dihydroxy-1-methyl-3-[5-(2-phenoxypropan-2-yl)-1,2-oxazol-3-yl]imidazolidin-2-one has a molecular weight of 333.34 g/mol, XLogP of 1.50, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dihydroxy-1-methyl-3-[5-(2-phenoxypropan-2-yl)-1,2-oxazol-3-yl]imidazolidin-2-one is sourced from PubChem (CID 20560773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).