4-hydroxy-1-methyl-3-[3-(2-phenylpropan-2-yl)-1,2-oxazol-5-yl]-5-prop-2-enylimidazolidin-2-one

C19H23N3O3 — CID 20560666

IUPAC4-hydroxy-1-methyl-3-[3-(2-phenylpropan-2-yl)-1,2-oxazol-5-yl]-5-prop-2-enylimidazolidin-2-one
SMILESC=CCC1C(O)N(c2cc(C(C)(C)c3ccccc3)no2)C(=O)N1C
InChIInChI=1S/C19H23N3O3/c1-5-9-14-17(23)22(18(24)21(14)4)16-12-15(20-25-16)19(2,3)13-10-7-6-8-11-13/h5-8,10-12,14,17,23H,1,9H2,2-4H3
InChIKeyAOFCPXLNQRCDKC-UHFFFAOYSA-N
MW341.41 g/mol
LogP3.14
Rot. Bonds5

About 4-hydroxy-1-methyl-3-[3-(2-phenylpropan-2-yl)-1,2-oxazol-5-yl]-5-prop-2-enylimidazolidin-2-one

4-hydroxy-1-methyl-3-[3-(2-phenylpropan-2-yl)-1,2-oxazol-5-yl]-5-prop-2-enylimidazolidin-2-one (PubChem CID 20560666) has the molecular formula C19H23N3O3 and a molecular weight of 341.41 g/mol. Its IUPAC name is 4-hydroxy-1-methyl-3-[3-(2-phenylpropan-2-yl)-1,2-oxazol-5-yl]-5-prop-2-enylimidazolidin-2-one.

Molecular Properties

Compound Name4-hydroxy-1-methyl-3-[3-(2-phenylpropan-2-yl)-1,2-oxazol-5-yl]-5-prop-2-enylimidazolidin-2-one
PubChem CID20560666
Molecular FormulaC19H23N3O3
Molecular Weight341.41 g/mol
Exact Mass341.17
IUPAC Name4-hydroxy-1-methyl-3-[3-(2-phenylpropan-2-yl)-1,2-oxazol-5-yl]-5-prop-2-enylimidazolidin-2-one
SMILESC=CCC1C(O)N(c2cc(C(C)(C)c3ccccc3)no2)C(=O)N1C
InChIInChI=1S/C19H23N3O3/c1-5-9-14-17(23)22(18(24)21(14)4)16-12-15(20-25-16)19(2,3)13-10-7-6-8-11-13/h5-8,10-12,14,17,23H,1,9H2,2-4H3
InChIKeyAOFCPXLNQRCDKC-UHFFFAOYSA-N
XLogP3.14
TPSA69.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2-Methoxyethyl)-N-{[3-phenyl-5-(pyrrolidin-1-YL)-1,2-oxazol-4-YL]methyl}acetamide
CID 24716532
N-(2-Methoxyethyl)-N-{[3-(3-methylphenyl)-5-(pyrrolidin-1-YL)-1,2-oxazol-4-YL]methyl}propanamide
CID 46018961
1-[3-[2-[4-(2-Fluorophenyl)phenyl]propan-2-yl]-1,2-oxazol-5-yl]-1-(2-hydroxyethyl)guanidine
CID 70081954
2-[[3-[2-(3-fluoro-4-phenylphenyl)propan-2-yl]-1,2-oxazol-5-yl]amino]-1-(2-hydroxyethyl)-4H-imidazol-5-one
CID 70082028
N-[3-[2-(3-fluoro-4-phenylphenyl)propan-2-yl]-1,2-oxazol-5-yl]-2-(4-oxoimidazolidin-1-yl)acetamide
CID 70082029
N-(3-tert-butyl-1,2-oxazol-5-yl)-2-[4-(trifluoromethyl)phenyl]pyrrolidine-1-carboxamide
CID 164536840
US10669234, Example 57
CID 135205100
N-[(3-phenyl-5-pyrrolidin-1-yl-1,2-oxazol-4-yl)methyl]-N-propan-2-ylacetamide
CID 24718088
N-[(3-phenyl-5-pyrrolidin-1-yl-1,2-oxazol-4-yl)methyl]-N-propan-2-ylpropanamide
CID 24718092
3,3-dimethyl-N-[(3-phenyl-5-pyrrolidin-1-yl-1,2-oxazol-4-yl)methyl]-N-propan-2-ylbutanamide
CID 24718094
(4R,5S)-1,5-dimethyl-4-phenyl-3-(3-phenyl-1,2-oxazol-5-yl)imidazolidin-2-one
CID 101458706
2-[2-(2,5-difluorophenyl)-4-hydroxypyrrolidin-1-yl]-N-(3-methyl-1,2-oxazol-5-yl)acetamide
CID 128978435

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-1-methyl-3-[3-(2-phenylpropan-2-yl)-1,2-oxazol-5-yl]-5-prop-2-enylimidazolidin-2-one?
The IUPAC name of 4-hydroxy-1-methyl-3-[3-(2-phenylpropan-2-yl)-1,2-oxazol-5-yl]-5-prop-2-enylimidazolidin-2-one (CID 20560666) is 4-hydroxy-1-methyl-3-[3-(2-phenylpropan-2-yl)-1,2-oxazol-5-yl]-5-prop-2-enylimidazolidin-2-one.
What is the SMILES notation for 4-hydroxy-1-methyl-3-[3-(2-phenylpropan-2-yl)-1,2-oxazol-5-yl]-5-prop-2-enylimidazolidin-2-one?
The canonical SMILES for 4-hydroxy-1-methyl-3-[3-(2-phenylpropan-2-yl)-1,2-oxazol-5-yl]-5-prop-2-enylimidazolidin-2-one is C=CCC1C(O)N(c2cc(C(C)(C)c3ccccc3)no2)C(=O)N1C.
What is the InChIKey of 4-hydroxy-1-methyl-3-[3-(2-phenylpropan-2-yl)-1,2-oxazol-5-yl]-5-prop-2-enylimidazolidin-2-one?
The InChIKey is AOFCPXLNQRCDKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O3/c1-5-9-14-17(23)22(18(24)21(14)4)16-12-15(20-25-16)19(2,3)13-10-7-6-8-11-13/h5-8,10-12,14,17,23H,1,9H2,2-4H3.
What are the key properties of 4-hydroxy-1-methyl-3-[3-(2-phenylpropan-2-yl)-1,2-oxazol-5-yl]-5-prop-2-enylimidazolidin-2-one?
4-hydroxy-1-methyl-3-[3-(2-phenylpropan-2-yl)-1,2-oxazol-5-yl]-5-prop-2-enylimidazolidin-2-one has a molecular weight of 341.41 g/mol, XLogP of 3.14, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-1-methyl-3-[3-(2-phenylpropan-2-yl)-1,2-oxazol-5-yl]-5-prop-2-enylimidazolidin-2-one is sourced from PubChem (CID 20560666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).