1-[3-(3-amino-1,2-oxazol-5-yl)phenyl]-1-methylurea

C11H12N4O2 — CID 117336131

IUPAC1-[3-(3-amino-1,2-oxazol-5-yl)phenyl]-1-methylurea
SMILESCN(C(N)=O)c1cccc(-c2cc(N)no2)c1
InChIInChI=1S/C11H12N4O2/c1-15(11(13)16)8-4-2-3-7(5-8)9-6-10(12)14-17-9/h2-6H,1H3,(H2,12,14)(H2,13,16)
InChIKeyDNXAWXRCMGQZCX-UHFFFAOYSA-N
MW232.24 g/mol
LogP1.44
Rot. Bonds2

About 1-[3-(3-amino-1,2-oxazol-5-yl)phenyl]-1-methylurea

1-[3-(3-amino-1,2-oxazol-5-yl)phenyl]-1-methylurea (PubChem CID 117336131) has the molecular formula C11H12N4O2 and a molecular weight of 232.24 g/mol. Its IUPAC name is 1-[3-(3-amino-1,2-oxazol-5-yl)phenyl]-1-methylurea.

Molecular Properties

Compound Name1-[3-(3-amino-1,2-oxazol-5-yl)phenyl]-1-methylurea
PubChem CID117336131
Molecular FormulaC11H12N4O2
Molecular Weight232.24 g/mol
Exact Mass232.10
IUPAC Name1-[3-(3-amino-1,2-oxazol-5-yl)phenyl]-1-methylurea
SMILESCN(C(N)=O)c1cccc(-c2cc(N)no2)c1
InChIInChI=1S/C11H12N4O2/c1-15(11(13)16)8-4-2-3-7(5-8)9-6-10(12)14-17-9/h2-6H,1H3,(H2,12,14)(H2,13,16)
InChIKeyDNXAWXRCMGQZCX-UHFFFAOYSA-N
XLogP1.44
TPSA98.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.24
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(3-amino-1,2-oxazol-5-yl)phenyl]-1-methylurea?
The IUPAC name of 1-[3-(3-amino-1,2-oxazol-5-yl)phenyl]-1-methylurea (CID 117336131) is 1-[3-(3-amino-1,2-oxazol-5-yl)phenyl]-1-methylurea.
What is the SMILES notation for 1-[3-(3-amino-1,2-oxazol-5-yl)phenyl]-1-methylurea?
The canonical SMILES for 1-[3-(3-amino-1,2-oxazol-5-yl)phenyl]-1-methylurea is CN(C(N)=O)c1cccc(-c2cc(N)no2)c1.
What is the InChIKey of 1-[3-(3-amino-1,2-oxazol-5-yl)phenyl]-1-methylurea?
The InChIKey is DNXAWXRCMGQZCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O2/c1-15(11(13)16)8-4-2-3-7(5-8)9-6-10(12)14-17-9/h2-6H,1H3,(H2,12,14)(H2,13,16).
What are the key properties of 1-[3-(3-amino-1,2-oxazol-5-yl)phenyl]-1-methylurea?
1-[3-(3-amino-1,2-oxazol-5-yl)phenyl]-1-methylurea has a molecular weight of 232.24 g/mol, XLogP of 1.44, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(3-amino-1,2-oxazol-5-yl)phenyl]-1-methylurea is sourced from PubChem (CID 117336131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).