1-(2-aminoethyl)-1-(1,3-benzoxazol-5-yl)urea

C10H12N4O2 — CID 82392763

IUPAC1-(2-aminoethyl)-1-(1,3-benzoxazol-5-yl)urea
SMILESNCCN(C(N)=O)c1ccc2ocnc2c1
InChIInChI=1S/C10H12N4O2/c11-3-4-14(10(12)15)7-1-2-9-8(5-7)13-6-16-9/h1-2,5-6H,3-4,11H2,(H2,12,15)
InChIKeyDAWOJWZPFRIUQX-UHFFFAOYSA-N
MW220.23 g/mol
LogP0.67
Rot. Bonds3

About 1-(2-aminoethyl)-1-(1,3-benzoxazol-5-yl)urea

1-(2-aminoethyl)-1-(1,3-benzoxazol-5-yl)urea (PubChem CID 82392763) has the molecular formula C10H12N4O2 and a molecular weight of 220.23 g/mol. Its IUPAC name is 1-(2-aminoethyl)-1-(1,3-benzoxazol-5-yl)urea.

Molecular Properties

Compound Name1-(2-aminoethyl)-1-(1,3-benzoxazol-5-yl)urea
PubChem CID82392763
Molecular FormulaC10H12N4O2
Molecular Weight220.23 g/mol
Exact Mass220.10
IUPAC Name1-(2-aminoethyl)-1-(1,3-benzoxazol-5-yl)urea
SMILESNCCN(C(N)=O)c1ccc2ocnc2c1
InChIInChI=1S/C10H12N4O2/c11-3-4-14(10(12)15)7-1-2-9-8(5-7)13-6-16-9/h1-2,5-6H,3-4,11H2,(H2,12,15)
InChIKeyDAWOJWZPFRIUQX-UHFFFAOYSA-N
XLogP0.67
TPSA98.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.23
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-aminoethyl)-1-(1,3-benzoxazol-5-yl)urea?
The IUPAC name of 1-(2-aminoethyl)-1-(1,3-benzoxazol-5-yl)urea (CID 82392763) is 1-(2-aminoethyl)-1-(1,3-benzoxazol-5-yl)urea.
What is the SMILES notation for 1-(2-aminoethyl)-1-(1,3-benzoxazol-5-yl)urea?
The canonical SMILES for 1-(2-aminoethyl)-1-(1,3-benzoxazol-5-yl)urea is NCCN(C(N)=O)c1ccc2ocnc2c1.
What is the InChIKey of 1-(2-aminoethyl)-1-(1,3-benzoxazol-5-yl)urea?
The InChIKey is DAWOJWZPFRIUQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4O2/c11-3-4-14(10(12)15)7-1-2-9-8(5-7)13-6-16-9/h1-2,5-6H,3-4,11H2,(H2,12,15).
What are the key properties of 1-(2-aminoethyl)-1-(1,3-benzoxazol-5-yl)urea?
1-(2-aminoethyl)-1-(1,3-benzoxazol-5-yl)urea has a molecular weight of 220.23 g/mol, XLogP of 0.67, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-aminoethyl)-1-(1,3-benzoxazol-5-yl)urea is sourced from PubChem (CID 82392763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).