3-[4-(3-methyl-2-oxoimidazolidin-1-yl)phenyl]-4,5-dihydro-1,2-oxazole-5-carboxamide

C14H16N4O3 — CID 68864716

IUPAC3-[4-(3-methyl-2-oxoimidazolidin-1-yl)phenyl]-4,5-dihydro-1,2-oxazole-5-carboxamide
SMILESCN1CCN(c2ccc(C3=NOC(C(N)=O)C3)cc2)C1=O
InChIInChI=1S/C14H16N4O3/c1-17-6-7-18(14(17)20)10-4-2-9(3-5-10)11-8-12(13(15)19)21-16-11/h2-5,12H,6-8H2,1H3,(H2,15,19)
InChIKeyZWJSTQJXCHWMKQ-UHFFFAOYSA-N
MW288.31 g/mol
LogP0.54
Rot. Bonds3

About 3-[4-(3-methyl-2-oxoimidazolidin-1-yl)phenyl]-4,5-dihydro-1,2-oxazole-5-carboxamide

3-[4-(3-methyl-2-oxoimidazolidin-1-yl)phenyl]-4,5-dihydro-1,2-oxazole-5-carboxamide (PubChem CID 68864716) has the molecular formula C14H16N4O3 and a molecular weight of 288.31 g/mol. Its IUPAC name is 3-[4-(3-methyl-2-oxoimidazolidin-1-yl)phenyl]-4,5-dihydro-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound Name3-[4-(3-methyl-2-oxoimidazolidin-1-yl)phenyl]-4,5-dihydro-1,2-oxazole-5-carboxamide
PubChem CID68864716
Molecular FormulaC14H16N4O3
Molecular Weight288.31 g/mol
Exact Mass288.12
IUPAC Name3-[4-(3-methyl-2-oxoimidazolidin-1-yl)phenyl]-4,5-dihydro-1,2-oxazole-5-carboxamide
SMILESCN1CCN(c2ccc(C3=NOC(C(N)=O)C3)cc2)C1=O
InChIInChI=1S/C14H16N4O3/c1-17-6-7-18(14(17)20)10-4-2-9(3-5-10)11-8-12(13(15)19)21-16-11/h2-5,12H,6-8H2,1H3,(H2,15,19)
InChIKeyZWJSTQJXCHWMKQ-UHFFFAOYSA-N
XLogP0.54
TPSA88.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.31
LogP ≤ 50.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(3-methyl-2-oxoimidazolidin-1-yl)phenyl]-4,5-dihydro-1,2-oxazole-5-carboxamide?
The IUPAC name of 3-[4-(3-methyl-2-oxoimidazolidin-1-yl)phenyl]-4,5-dihydro-1,2-oxazole-5-carboxamide (CID 68864716) is 3-[4-(3-methyl-2-oxoimidazolidin-1-yl)phenyl]-4,5-dihydro-1,2-oxazole-5-carboxamide.
What is the SMILES notation for 3-[4-(3-methyl-2-oxoimidazolidin-1-yl)phenyl]-4,5-dihydro-1,2-oxazole-5-carboxamide?
The canonical SMILES for 3-[4-(3-methyl-2-oxoimidazolidin-1-yl)phenyl]-4,5-dihydro-1,2-oxazole-5-carboxamide is CN1CCN(c2ccc(C3=NOC(C(N)=O)C3)cc2)C1=O.
What is the InChIKey of 3-[4-(3-methyl-2-oxoimidazolidin-1-yl)phenyl]-4,5-dihydro-1,2-oxazole-5-carboxamide?
The InChIKey is ZWJSTQJXCHWMKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O3/c1-17-6-7-18(14(17)20)10-4-2-9(3-5-10)11-8-12(13(15)19)21-16-11/h2-5,12H,6-8H2,1H3,(H2,15,19).
What are the key properties of 3-[4-(3-methyl-2-oxoimidazolidin-1-yl)phenyl]-4,5-dihydro-1,2-oxazole-5-carboxamide?
3-[4-(3-methyl-2-oxoimidazolidin-1-yl)phenyl]-4,5-dihydro-1,2-oxazole-5-carboxamide has a molecular weight of 288.31 g/mol, XLogP of 0.54, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(3-methyl-2-oxoimidazolidin-1-yl)phenyl]-4,5-dihydro-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 68864716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).