[3-(1,3-oxazol-2-ylamino)phenyl]urea

C10H10N4O2 — CID 66720962

IUPAC[3-(1,3-oxazol-2-ylamino)phenyl]urea
SMILESNC(=O)Nc1cccc(Nc2ncco2)c1
InChIInChI=1S/C10H10N4O2/c11-9(15)13-7-2-1-3-8(6-7)14-10-12-4-5-16-10/h1-6H,(H,12,14)(H3,11,13,15)
InChIKeyMGJAKLSGRBMOLQ-UHFFFAOYSA-N
MW218.22 g/mol
LogP1.91
Rot. Bonds3

About [3-(1,3-oxazol-2-ylamino)phenyl]urea

[3-(1,3-oxazol-2-ylamino)phenyl]urea (PubChem CID 66720962) has the molecular formula C10H10N4O2 and a molecular weight of 218.22 g/mol. Its IUPAC name is [3-(1,3-oxazol-2-ylamino)phenyl]urea.

Molecular Properties

Compound Name[3-(1,3-oxazol-2-ylamino)phenyl]urea
PubChem CID66720962
Molecular FormulaC10H10N4O2
Molecular Weight218.22 g/mol
Exact Mass218.08
IUPAC Name[3-(1,3-oxazol-2-ylamino)phenyl]urea
SMILESNC(=O)Nc1cccc(Nc2ncco2)c1
InChIInChI=1S/C10H10N4O2/c11-9(15)13-7-2-1-3-8(6-7)14-10-12-4-5-16-10/h1-6H,(H,12,14)(H3,11,13,15)
InChIKeyMGJAKLSGRBMOLQ-UHFFFAOYSA-N
XLogP1.91
TPSA93.18 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.22
LogP ≤ 51.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [3-(1,3-oxazol-2-ylamino)phenyl]urea?
The IUPAC name of [3-(1,3-oxazol-2-ylamino)phenyl]urea (CID 66720962) is [3-(1,3-oxazol-2-ylamino)phenyl]urea.
What is the SMILES notation for [3-(1,3-oxazol-2-ylamino)phenyl]urea?
The canonical SMILES for [3-(1,3-oxazol-2-ylamino)phenyl]urea is NC(=O)Nc1cccc(Nc2ncco2)c1.
What is the InChIKey of [3-(1,3-oxazol-2-ylamino)phenyl]urea?
The InChIKey is MGJAKLSGRBMOLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N4O2/c11-9(15)13-7-2-1-3-8(6-7)14-10-12-4-5-16-10/h1-6H,(H,12,14)(H3,11,13,15).
What are the key properties of [3-(1,3-oxazol-2-ylamino)phenyl]urea?
[3-(1,3-oxazol-2-ylamino)phenyl]urea has a molecular weight of 218.22 g/mol, XLogP of 1.91, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(1,3-oxazol-2-ylamino)phenyl]urea is sourced from PubChem (CID 66720962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).