1-(4-aminophenyl)-3-[(5-ethyl-1,3-oxazol-2-yl)methyl]urea

C13H16N4O2 — CID 106373291

IUPAC1-(4-aminophenyl)-3-[(5-ethyl-1,3-oxazol-2-yl)methyl]urea
SMILESCCc1cnc(CNC(=O)Nc2ccc(N)cc2)o1
InChIInChI=1S/C13H16N4O2/c1-2-11-7-15-12(19-11)8-16-13(18)17-10-5-3-9(14)4-6-10/h3-7H,2,8,14H2,1H3,(H2,16,17,18)
InChIKeyFJLBULWKPVRFNW-UHFFFAOYSA-N
MW260.30 g/mol
LogP2.14
Rot. Bonds4

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

1-(4-aminophenyl)-3-[(5-ethyl-1,3-oxazol-2-yl)methyl]urea (PubChem CID 106373291) has the molecular formula C13H16N4O2 and a molecular weight of 260.30 g/mol. Its IUPAC name is 1-(4-aminophenyl)-3-[(5-ethyl-1,3-oxazol-2-yl)methyl]urea.

Molecular Properties

Compound Name1-(4-aminophenyl)-3-[(5-ethyl-1,3-oxazol-2-yl)methyl]urea
PubChem CID106373291
Molecular FormulaC13H16N4O2
Molecular Weight260.30 g/mol
Exact Mass260.13
IUPAC Name1-(4-aminophenyl)-3-[(5-ethyl-1,3-oxazol-2-yl)methyl]urea
SMILESCCc1cnc(CNC(=O)Nc2ccc(N)cc2)o1
InChIInChI=1S/C13H16N4O2/c1-2-11-7-15-12(19-11)8-16-13(18)17-10-5-3-9(14)4-6-10/h3-7H,2,8,14H2,1H3,(H2,16,17,18)
InChIKeyFJLBULWKPVRFNW-UHFFFAOYSA-N
XLogP2.14
TPSA93.18 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.30
LogP ≤ 52.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-(4-aminophenyl)-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]acetamide
CID 106368469
(E)-3-(4-aminophenyl)-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]prop-2-enamide
CID 106370803
2-[(5-ethyl-1,3-oxazol-2-yl)methylcarbamoylamino]benzoic acid
CID 106373959
1-[(5-ethyl-1,3-oxazol-2-yl)methyl]-3-(5-methyl-1,3,4-thiadiazol-2-yl)urea
CID 154839750
1-(2,5-dimethylpyrimidin-4-yl)-3-[(5-ethyl-1,3-oxazol-2-yl)methyl]urea
CID 126820453
(2S)-2-amino-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]propanamide
CID 106371001
2-amino-2-ethyl-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]butanamide
CID 106370796
2-[(5-ethyl-1,3-oxazol-2-yl)methylcarbamoylamino]butanoic acid
CID 106374246
2-(4-aminopyrazol-1-yl)-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]acetamide
CID 114179908
3-[(5-ethyl-1,3-oxazol-2-yl)methylcarbamoylamino]-5-methyl-1H-pyrrole-2-carboxylic acid
CID 106374332
2-(2-aminophenoxy)-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]acetamide
CID 106368467
3-[(5-ethyl-1,3-oxazol-2-yl)methylamino]propanamide
CID 106371045

Frequently Asked Questions

What is the IUPAC name of 1-(4-aminophenyl)-3-[(5-ethyl-1,3-oxazol-2-yl)methyl]urea?
The IUPAC name of 1-(4-aminophenyl)-3-[(5-ethyl-1,3-oxazol-2-yl)methyl]urea (CID 106373291) is 1-(4-aminophenyl)-3-[(5-ethyl-1,3-oxazol-2-yl)methyl]urea.
What is the SMILES notation for 1-(4-aminophenyl)-3-[(5-ethyl-1,3-oxazol-2-yl)methyl]urea?
The canonical SMILES for 1-(4-aminophenyl)-3-[(5-ethyl-1,3-oxazol-2-yl)methyl]urea is CCc1cnc(CNC(=O)Nc2ccc(N)cc2)o1.
What is the InChIKey of 1-(4-aminophenyl)-3-[(5-ethyl-1,3-oxazol-2-yl)methyl]urea?
The InChIKey is FJLBULWKPVRFNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O2/c1-2-11-7-15-12(19-11)8-16-13(18)17-10-5-3-9(14)4-6-10/h3-7H,2,8,14H2,1H3,(H2,16,17,18).
What are the key properties of 1-(4-aminophenyl)-3-[(5-ethyl-1,3-oxazol-2-yl)methyl]urea?
1-(4-aminophenyl)-3-[(5-ethyl-1,3-oxazol-2-yl)methyl]urea has a molecular weight of 260.30 g/mol, XLogP of 2.14, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-aminophenyl)-3-[(5-ethyl-1,3-oxazol-2-yl)methyl]urea is sourced from PubChem (CID 106373291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).