1-[3-(1-aminoethyl)phenyl]-3-[2-(1,2,4-oxadiazol-5-yl)ethyl]urea

C13H17N5O2 — CID 106407545

IUPAC1-[3-(1-aminoethyl)phenyl]-3-[2-(1,2,4-oxadiazol-5-yl)ethyl]urea
SMILESCC(N)c1cccc(NC(=O)NCCc2ncno2)c1
InChIInChI=1S/C13H17N5O2/c1-9(14)10-3-2-4-11(7-10)18-13(19)15-6-5-12-16-8-17-20-12/h2-4,7-9H,5-6,14H2,1H3,(H2,15,18,19)
InChIKeyIWSORRWKNDGXHU-UHFFFAOYSA-N
MW275.31 g/mol
LogP1.45
Rot. Bonds5

About 1-[3-(1-aminoethyl)phenyl]-3-[2-(1,2,4-oxadiazol-5-yl)ethyl]urea

1-[3-(1-aminoethyl)phenyl]-3-[2-(1,2,4-oxadiazol-5-yl)ethyl]urea (PubChem CID 106407545) has the molecular formula C13H17N5O2 and a molecular weight of 275.31 g/mol. Its IUPAC name is 1-[3-(1-aminoethyl)phenyl]-3-[2-(1,2,4-oxadiazol-5-yl)ethyl]urea.

Molecular Properties

Compound Name1-[3-(1-aminoethyl)phenyl]-3-[2-(1,2,4-oxadiazol-5-yl)ethyl]urea
PubChem CID106407545
Molecular FormulaC13H17N5O2
Molecular Weight275.31 g/mol
Exact Mass275.14
IUPAC Name1-[3-(1-aminoethyl)phenyl]-3-[2-(1,2,4-oxadiazol-5-yl)ethyl]urea
SMILESCC(N)c1cccc(NC(=O)NCCc2ncno2)c1
InChIInChI=1S/C13H17N5O2/c1-9(14)10-3-2-4-11(7-10)18-13(19)15-6-5-12-16-8-17-20-12/h2-4,7-9H,5-6,14H2,1H3,(H2,15,18,19)
InChIKeyIWSORRWKNDGXHU-UHFFFAOYSA-N
XLogP1.45
TPSA106.07 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 51.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

1-[3-(1-aminoethyl)phenyl]-3-propylurea
CID 43210542
1-[3-(1-aminoethyl)phenyl]-3-(2-methoxyethyl)urea
CID 61340896
1-[3-(1-aminoethyl)phenyl]-3-(2-methylsulfonylethyl)urea
CID 61340525
methyl 3-[[3-(1-aminoethyl)phenyl]carbamoylamino]propanoate
CID 61341694
1-[3-(1-hydroxyethyl)phenyl]-3-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]urea
CID 106422671
1-[3-(1-aminoethyl)phenyl]-3-(1H-1,2,4-triazol-5-ylmethyl)urea
CID 64524162
2-[[3-(1-aminoethyl)phenyl]carbamoylamino]-N-propan-2-ylacetamide
CID 61341683
1-[3-(1-aminoethyl)phenyl]-3-(2-morpholin-4-ylethyl)urea
CID 61339652
1-methyl-3-[2-(1,2,4-oxadiazol-5-yl)ethyl]urea
CID 103743952
2-amino-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-3-phenylpropanamide
CID 106397552
1-[3-(1-aminoethyl)phenyl]-3-(2,3,3-trimethylbutyl)urea
CID 83147014
1-[3-(1-aminoethyl)phenyl]-3-(3-cyclopentylpropyl)urea
CID 106014699

Frequently Asked Questions

What is the IUPAC name of 1-[3-(1-aminoethyl)phenyl]-3-[2-(1,2,4-oxadiazol-5-yl)ethyl]urea?
The IUPAC name of 1-[3-(1-aminoethyl)phenyl]-3-[2-(1,2,4-oxadiazol-5-yl)ethyl]urea (CID 106407545) is 1-[3-(1-aminoethyl)phenyl]-3-[2-(1,2,4-oxadiazol-5-yl)ethyl]urea.
What is the SMILES notation for 1-[3-(1-aminoethyl)phenyl]-3-[2-(1,2,4-oxadiazol-5-yl)ethyl]urea?
The canonical SMILES for 1-[3-(1-aminoethyl)phenyl]-3-[2-(1,2,4-oxadiazol-5-yl)ethyl]urea is CC(N)c1cccc(NC(=O)NCCc2ncno2)c1.
What is the InChIKey of 1-[3-(1-aminoethyl)phenyl]-3-[2-(1,2,4-oxadiazol-5-yl)ethyl]urea?
The InChIKey is IWSORRWKNDGXHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5O2/c1-9(14)10-3-2-4-11(7-10)18-13(19)15-6-5-12-16-8-17-20-12/h2-4,7-9H,5-6,14H2,1H3,(H2,15,18,19).
What are the key properties of 1-[3-(1-aminoethyl)phenyl]-3-[2-(1,2,4-oxadiazol-5-yl)ethyl]urea?
1-[3-(1-aminoethyl)phenyl]-3-[2-(1,2,4-oxadiazol-5-yl)ethyl]urea has a molecular weight of 275.31 g/mol, XLogP of 1.45, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(1-aminoethyl)phenyl]-3-[2-(1,2,4-oxadiazol-5-yl)ethyl]urea is sourced from PubChem (CID 106407545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).