3-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]-5-propylimidazolidine-2,4-dione

C17H19N3O3 — CID 18150014

IUPAC3-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]-5-propylimidazolidine-2,4-dione
SMILESCCCC1NC(=O)N(Cc2nc(-c3ccccc3)oc2C)C1=O
InChIInChI=1S/C17H19N3O3/c1-3-7-13-16(21)20(17(22)19-13)10-14-11(2)23-15(18-14)12-8-5-4-6-9-12/h4-6,8-9,13H,3,7,10H2,1-2H3,(H,19,22)
InChIKeyZWTNYTFHWRHIPN-UHFFFAOYSA-N
MW313.36 g/mol
LogP2.87
Rot. Bonds5

About 3-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]-5-propylimidazolidine-2,4-dione

3-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]-5-propylimidazolidine-2,4-dione (PubChem CID 18150014) has the molecular formula C17H19N3O3 and a molecular weight of 313.36 g/mol. Its IUPAC name is 3-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]-5-propylimidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]-5-propylimidazolidine-2,4-dione
PubChem CID18150014
Molecular FormulaC17H19N3O3
Molecular Weight313.36 g/mol
Exact Mass313.14
IUPAC Name3-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]-5-propylimidazolidine-2,4-dione
SMILESCCCC1NC(=O)N(Cc2nc(-c3ccccc3)oc2C)C1=O
InChIInChI=1S/C17H19N3O3/c1-3-7-13-16(21)20(17(22)19-13)10-14-11(2)23-15(18-14)12-8-5-4-6-9-12/h4-6,8-9,13H,3,7,10H2,1-2H3,(H,19,22)
InChIKeyZWTNYTFHWRHIPN-UHFFFAOYSA-N
XLogP2.87
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.36
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-methyl-3-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]-1,3-diazaspiro[4.5]decane-2,4-dione
CID 24623558
1-cyclopentyl-4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]pyrazine-2,3-dione
CID 155977013
(5-methyl-2-phenyl-1,3-oxazol-4-yl)methanamine
CID 15616431
3-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methylsulfanyl]-4-propyl-1H-1,2,4-triazol-5-one
CID 51111768
2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetaldehyde
CID 18984662
(3R,5R)-5-ethyl-1-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]-N-(oxan-4-ylmethyl)piperidine-3-carboxamide
CID 54584590
3-benzyl-5-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-1,3-thiazolidine-2,4-dione
CID 23076474
2-[4-[(2,5-dioxo-4-propylimidazolidin-1-yl)methyl]phenyl]acetic acid
CID 105345329
1-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]piperidin-3-ol
CID 110883667
7-chloro-1-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]-5-phenyl-3H-1,4-benzodiazepin-2-one
CID 4053468
(3aS,6aS)-5-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetyl]-1,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-2-one
CID 154570959
5-methyl-4-[(4-pentylsulfonylpiperazin-1-yl)methyl]-2-phenyl-1,3-oxazole
CID 86936902

Frequently Asked Questions

What is the IUPAC name of 3-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]-5-propylimidazolidine-2,4-dione?
The IUPAC name of 3-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]-5-propylimidazolidine-2,4-dione (CID 18150014) is 3-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]-5-propylimidazolidine-2,4-dione.
What is the SMILES notation for 3-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]-5-propylimidazolidine-2,4-dione?
The canonical SMILES for 3-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]-5-propylimidazolidine-2,4-dione is CCCC1NC(=O)N(Cc2nc(-c3ccccc3)oc2C)C1=O.
What is the InChIKey of 3-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]-5-propylimidazolidine-2,4-dione?
The InChIKey is ZWTNYTFHWRHIPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O3/c1-3-7-13-16(21)20(17(22)19-13)10-14-11(2)23-15(18-14)12-8-5-4-6-9-12/h4-6,8-9,13H,3,7,10H2,1-2H3,(H,19,22).
What are the key properties of 3-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]-5-propylimidazolidine-2,4-dione?
3-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]-5-propylimidazolidine-2,4-dione has a molecular weight of 313.36 g/mol, XLogP of 2.87, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]-5-propylimidazolidine-2,4-dione is sourced from PubChem (CID 18150014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).