1-[2-(3-amino-1,2,4-oxadiazol-5-yl)ethyl]-3-(furan-2-ylmethyl)urea

C10H13N5O3 — CID 71859463

IUPAC1-[2-(3-amino-1,2,4-oxadiazol-5-yl)ethyl]-3-(furan-2-ylmethyl)urea
SMILESNc1noc(CCNC(=O)NCc2ccco2)n1
InChIInChI=1S/C10H13N5O3/c11-9-14-8(18-15-9)3-4-12-10(16)13-6-7-2-1-5-17-7/h1-2,5H,3-4,6H2,(H2,11,15)(H2,12,13,16)
InChIKeyOGXGDGYYNDYDPV-UHFFFAOYSA-N
MW251.25 g/mol
LogP0.29
Rot. Bonds5

About 1-[2-(3-amino-1,2,4-oxadiazol-5-yl)ethyl]-3-(furan-2-ylmethyl)urea

1-[2-(3-amino-1,2,4-oxadiazol-5-yl)ethyl]-3-(furan-2-ylmethyl)urea (PubChem CID 71859463) has the molecular formula C10H13N5O3 and a molecular weight of 251.25 g/mol. Its IUPAC name is 1-[2-(3-amino-1,2,4-oxadiazol-5-yl)ethyl]-3-(furan-2-ylmethyl)urea.

Molecular Properties

Compound Name1-[2-(3-amino-1,2,4-oxadiazol-5-yl)ethyl]-3-(furan-2-ylmethyl)urea
PubChem CID71859463
Molecular FormulaC10H13N5O3
Molecular Weight251.25 g/mol
Exact Mass251.10
IUPAC Name1-[2-(3-amino-1,2,4-oxadiazol-5-yl)ethyl]-3-(furan-2-ylmethyl)urea
SMILESNc1noc(CCNC(=O)NCc2ccco2)n1
InChIInChI=1S/C10H13N5O3/c11-9-14-8(18-15-9)3-4-12-10(16)13-6-7-2-1-5-17-7/h1-2,5H,3-4,6H2,(H2,11,15)(H2,12,13,16)
InChIKeyOGXGDGYYNDYDPV-UHFFFAOYSA-N
XLogP0.29
TPSA119.21 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.25
LogP ≤ 50.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

5-(furan-2-ylmethyl)-1,2,4-oxadiazol-3-amine
CID 115004217
1-(furan-2-ylmethyl)-3-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]urea
CID 71876869
6-(furan-2-ylmethylcarbamoylamino)hexanoic acid
CID 61188617
1-(furan-2-ylmethyl)-2-methyl-3-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]guanidine;hydroiodide
CID 111111951
1-(furan-2-ylmethyl)-3-(2-phenoxyethyl)urea
CID 47125764
1-(furan-2-ylmethyl)-3-[2-(3,4,5-trimethoxyphenyl)ethyl]urea
CID 113217080
1-(furan-2-ylmethyl)-3-(3-pyrazol-1-ylpropyl)urea
CID 47176690
3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(furan-2-ylmethyl)propanamide
CID 866835
1-[(4-bromophenyl)methyl]-3-(furan-2-ylmethyl)urea
CID 108899432
1-(furan-2-ylmethyl)-3-[(4-methylphenyl)methyl]urea
CID 17399631
1-(furan-2-ylmethyl)-3-(2-quinolin-8-yloxyethyl)urea
CID 112975963
1-(4-aminophenyl)-3-[2-(furan-2-yl)ethyl]urea
CID 54954990

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-amino-1,2,4-oxadiazol-5-yl)ethyl]-3-(furan-2-ylmethyl)urea?
The IUPAC name of 1-[2-(3-amino-1,2,4-oxadiazol-5-yl)ethyl]-3-(furan-2-ylmethyl)urea (CID 71859463) is 1-[2-(3-amino-1,2,4-oxadiazol-5-yl)ethyl]-3-(furan-2-ylmethyl)urea.
What is the SMILES notation for 1-[2-(3-amino-1,2,4-oxadiazol-5-yl)ethyl]-3-(furan-2-ylmethyl)urea?
The canonical SMILES for 1-[2-(3-amino-1,2,4-oxadiazol-5-yl)ethyl]-3-(furan-2-ylmethyl)urea is Nc1noc(CCNC(=O)NCc2ccco2)n1.
What is the InChIKey of 1-[2-(3-amino-1,2,4-oxadiazol-5-yl)ethyl]-3-(furan-2-ylmethyl)urea?
The InChIKey is OGXGDGYYNDYDPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N5O3/c11-9-14-8(18-15-9)3-4-12-10(16)13-6-7-2-1-5-17-7/h1-2,5H,3-4,6H2,(H2,11,15)(H2,12,13,16).
What are the key properties of 1-[2-(3-amino-1,2,4-oxadiazol-5-yl)ethyl]-3-(furan-2-ylmethyl)urea?
1-[2-(3-amino-1,2,4-oxadiazol-5-yl)ethyl]-3-(furan-2-ylmethyl)urea has a molecular weight of 251.25 g/mol, XLogP of 0.29, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-amino-1,2,4-oxadiazol-5-yl)ethyl]-3-(furan-2-ylmethyl)urea is sourced from PubChem (CID 71859463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).