1-(5-methyl-4,5-dihydro-1,2-oxazol-3-yl)-3-[(3-methyl-4-oxophthalazin-1-yl)methyl]urea

C15H17N5O3 — CID 167961587

IUPAC1-(5-methyl-4,5-dihydro-1,2-oxazol-3-yl)-3-[(3-methyl-4-oxophthalazin-1-yl)methyl]urea
SMILESCC1CC(NC(=O)NCc2nn(C)c(=O)c3ccccc23)=NO1
InChIInChI=1S/C15H17N5O3/c1-9-7-13(19-23-9)17-15(22)16-8-12-10-5-3-4-6-11(10)14(21)20(2)18-12/h3-6,9H,7-8H2,1-2H3,(H2,16,17,19,22)
InChIKeyLDBVKUCDZGEPHN-UHFFFAOYSA-N
MW315.33 g/mol
LogP0.86
Rot. Bonds2

About 1-(5-methyl-4,5-dihydro-1,2-oxazol-3-yl)-3-[(3-methyl-4-oxophthalazin-1-yl)methyl]urea

1-(5-methyl-4,5-dihydro-1,2-oxazol-3-yl)-3-[(3-methyl-4-oxophthalazin-1-yl)methyl]urea (PubChem CID 167961587) has the molecular formula C15H17N5O3 and a molecular weight of 315.33 g/mol. Its IUPAC name is 1-(5-methyl-4,5-dihydro-1,2-oxazol-3-yl)-3-[(3-methyl-4-oxophthalazin-1-yl)methyl]urea.

Molecular Properties

Compound Name1-(5-methyl-4,5-dihydro-1,2-oxazol-3-yl)-3-[(3-methyl-4-oxophthalazin-1-yl)methyl]urea
PubChem CID167961587
Molecular FormulaC15H17N5O3
Molecular Weight315.33 g/mol
Exact Mass315.13
IUPAC Name1-(5-methyl-4,5-dihydro-1,2-oxazol-3-yl)-3-[(3-methyl-4-oxophthalazin-1-yl)methyl]urea
SMILESCC1CC(NC(=O)NCc2nn(C)c(=O)c3ccccc23)=NO1
InChIInChI=1S/C15H17N5O3/c1-9-7-13(19-23-9)17-15(22)16-8-12-10-5-3-4-6-11(10)14(21)20(2)18-12/h3-6,9H,7-8H2,1-2H3,(H2,16,17,19,22)
InChIKeyLDBVKUCDZGEPHN-UHFFFAOYSA-N
XLogP0.86
TPSA97.61 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.33
LogP ≤ 50.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-(5-methyl-4,5-dihydro-1,2-oxazol-3-yl)-3-[(3-methyl-4-oxophthalazin-1-yl)methyl]urea with MolForge

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Related Compounds

1-(4-fluorophenyl)-3-[(3-methyl-4-oxophthalazin-1-yl)methyl]urea
CID 90490062
1-[(3-methyl-4-oxophthalazin-1-yl)methyl]-3-(3,4,5-trimethoxyphenyl)urea
CID 71779482
tert-butyl N-[(3-methyl-4-oxophthalazin-1-yl)methyl]carbamate
CID 71779480
1-[(3-methyl-4-oxophthalazin-1-yl)methyl]-3-(2-phenoxyethyl)urea
CID 90489843
N-[(3-methyl-4-oxophthalazin-1-yl)methyl]naphthalene-2-carboxamide
CID 90489965
5-cyclopropyl-N-[(3-methyl-4-oxophthalazin-1-yl)methyl]-1,2-oxazole-3-carboxamide
CID 71779472
3,5-dimethyl-N-[(3-methyl-4-oxophthalazin-1-yl)methyl]benzamide
CID 90489923
4-fluoro-N-[(3-methyl-4-oxophthalazin-1-yl)methyl]benzamide
CID 90489941
N-[(3-methyl-4-oxophthalazin-1-yl)methyl]-2-oxo-1H-pyridine-3-carboxamide
CID 90489856
5-bromo-N-[(3-methyl-4-oxophthalazin-1-yl)methyl]furan-2-carboxamide
CID 90490004
4-ethylsulfanyl-N-[(3-methyl-4-oxophthalazin-1-yl)methyl]benzamide
CID 166348988
1-[(3-methyl-4-oxophthalazin-1-yl)methyl]-3-[1-(3-methylpyrazin-2-yl)ethyl]urea
CID 166348983

Frequently Asked Questions

What is the IUPAC name of 1-(5-methyl-4,5-dihydro-1,2-oxazol-3-yl)-3-[(3-methyl-4-oxophthalazin-1-yl)methyl]urea?
The IUPAC name of 1-(5-methyl-4,5-dihydro-1,2-oxazol-3-yl)-3-[(3-methyl-4-oxophthalazin-1-yl)methyl]urea (CID 167961587) is 1-(5-methyl-4,5-dihydro-1,2-oxazol-3-yl)-3-[(3-methyl-4-oxophthalazin-1-yl)methyl]urea.
What is the SMILES notation for 1-(5-methyl-4,5-dihydro-1,2-oxazol-3-yl)-3-[(3-methyl-4-oxophthalazin-1-yl)methyl]urea?
The canonical SMILES for 1-(5-methyl-4,5-dihydro-1,2-oxazol-3-yl)-3-[(3-methyl-4-oxophthalazin-1-yl)methyl]urea is CC1CC(NC(=O)NCc2nn(C)c(=O)c3ccccc23)=NO1.
What is the InChIKey of 1-(5-methyl-4,5-dihydro-1,2-oxazol-3-yl)-3-[(3-methyl-4-oxophthalazin-1-yl)methyl]urea?
The InChIKey is LDBVKUCDZGEPHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5O3/c1-9-7-13(19-23-9)17-15(22)16-8-12-10-5-3-4-6-11(10)14(21)20(2)18-12/h3-6,9H,7-8H2,1-2H3,(H2,16,17,19,22).
What are the key properties of 1-(5-methyl-4,5-dihydro-1,2-oxazol-3-yl)-3-[(3-methyl-4-oxophthalazin-1-yl)methyl]urea?
1-(5-methyl-4,5-dihydro-1,2-oxazol-3-yl)-3-[(3-methyl-4-oxophthalazin-1-yl)methyl]urea has a molecular weight of 315.33 g/mol, XLogP of 0.86, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methyl-4,5-dihydro-1,2-oxazol-3-yl)-3-[(3-methyl-4-oxophthalazin-1-yl)methyl]urea is sourced from PubChem (CID 167961587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).