1-methyl-3-[(5-methyl-4-phenyl-1,3-oxazole-2-carbonyl)amino]urea

C13H14N4O3 — CID 2739634

IUPAC1-methyl-3-[(5-methyl-4-phenyl-1,3-oxazole-2-carbonyl)amino]urea
SMILESCNC(=O)NNC(=O)c1nc(-c2ccccc2)c(C)o1
InChIInChI=1S/C13H14N4O3/c1-8-10(9-6-4-3-5-7-9)15-12(20-8)11(18)16-17-13(19)14-2/h3-7H,1-2H3,(H,16,18)(H2,14,17,19)
InChIKeyPRCAETORESYHAV-UHFFFAOYSA-N
MW274.28 g/mol
LogP1.22
Rot. Bonds2

About 1-methyl-3-[(5-methyl-4-phenyl-1,3-oxazole-2-carbonyl)amino]urea

1-methyl-3-[(5-methyl-4-phenyl-1,3-oxazole-2-carbonyl)amino]urea (PubChem CID 2739634) has the molecular formula C13H14N4O3 and a molecular weight of 274.28 g/mol. Its IUPAC name is 1-methyl-3-[(5-methyl-4-phenyl-1,3-oxazole-2-carbonyl)amino]urea.

Molecular Properties

Compound Name1-methyl-3-[(5-methyl-4-phenyl-1,3-oxazole-2-carbonyl)amino]urea
PubChem CID2739634
Molecular FormulaC13H14N4O3
Molecular Weight274.28 g/mol
Exact Mass274.11
IUPAC Name1-methyl-3-[(5-methyl-4-phenyl-1,3-oxazole-2-carbonyl)amino]urea
SMILESCNC(=O)NNC(=O)c1nc(-c2ccccc2)c(C)o1
InChIInChI=1S/C13H14N4O3/c1-8-10(9-6-4-3-5-7-9)15-12(20-8)11(18)16-17-13(19)14-2/h3-7H,1-2H3,(H,16,18)(H2,14,17,19)
InChIKeyPRCAETORESYHAV-UHFFFAOYSA-N
XLogP1.22
TPSA96.26 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.28
LogP ≤ 51.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-[(5-methyl-4-phenyl-1,3-oxazole-2-carbonyl)amino]urea?
The IUPAC name of 1-methyl-3-[(5-methyl-4-phenyl-1,3-oxazole-2-carbonyl)amino]urea (CID 2739634) is 1-methyl-3-[(5-methyl-4-phenyl-1,3-oxazole-2-carbonyl)amino]urea.
What is the SMILES notation for 1-methyl-3-[(5-methyl-4-phenyl-1,3-oxazole-2-carbonyl)amino]urea?
The canonical SMILES for 1-methyl-3-[(5-methyl-4-phenyl-1,3-oxazole-2-carbonyl)amino]urea is CNC(=O)NNC(=O)c1nc(-c2ccccc2)c(C)o1.
What is the InChIKey of 1-methyl-3-[(5-methyl-4-phenyl-1,3-oxazole-2-carbonyl)amino]urea?
The InChIKey is PRCAETORESYHAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O3/c1-8-10(9-6-4-3-5-7-9)15-12(20-8)11(18)16-17-13(19)14-2/h3-7H,1-2H3,(H,16,18)(H2,14,17,19).
What are the key properties of 1-methyl-3-[(5-methyl-4-phenyl-1,3-oxazole-2-carbonyl)amino]urea?
1-methyl-3-[(5-methyl-4-phenyl-1,3-oxazole-2-carbonyl)amino]urea has a molecular weight of 274.28 g/mol, XLogP of 1.22, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[(5-methyl-4-phenyl-1,3-oxazole-2-carbonyl)amino]urea is sourced from PubChem (CID 2739634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).