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

C13H18N4O3 — CID 71876869

IUPAC1-(furan-2-ylmethyl)-3-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]urea
SMILESCC(C)Cc1noc(CNC(=O)NCc2ccco2)n1
InChIInChI=1S/C13H18N4O3/c1-9(2)6-11-16-12(20-17-11)8-15-13(18)14-7-10-4-3-5-19-10/h3-5,9H,6-8H2,1-2H3,(H2,14,15,18)
InChIKeyUASIAMQPXGJEAR-UHFFFAOYSA-N
MW278.31 g/mol
LogP1.86
Rot. Bonds6

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

1-(furan-2-ylmethyl)-3-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]urea (PubChem CID 71876869) has the molecular formula C13H18N4O3 and a molecular weight of 278.31 g/mol. Its IUPAC name is 1-(furan-2-ylmethyl)-3-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]urea.

Molecular Properties

Compound Name1-(furan-2-ylmethyl)-3-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]urea
PubChem CID71876869
Molecular FormulaC13H18N4O3
Molecular Weight278.31 g/mol
Exact Mass278.14
IUPAC Name1-(furan-2-ylmethyl)-3-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]urea
SMILESCC(C)Cc1noc(CNC(=O)NCc2ccco2)n1
InChIInChI=1S/C13H18N4O3/c1-9(2)6-11-16-12(20-17-11)8-15-13(18)14-7-10-4-3-5-19-10/h3-5,9H,6-8H2,1-2H3,(H2,14,15,18)
InChIKeyUASIAMQPXGJEAR-UHFFFAOYSA-N
XLogP1.86
TPSA93.19 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-(furan-2-ylmethyl)-3-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(furan-2-ylmethyl)-2-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methylamino]benzamide
CID 134018346
1-(furan-2-yl)-N-(furan-2-ylmethyl)-N-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]methanamine
CID 134018549
N-(furan-2-ylmethyl)-5-(2-methylpropyl)-1,2-oxazole-3-carboxamide
CID 5308926
1-(furan-2-ylmethyl)-3-propan-2-ylurea
CID 819269
1-[2-(3-amino-1,2,4-oxadiazol-5-yl)ethyl]-3-(furan-2-ylmethyl)urea
CID 71859463
2-(furan-2-ylmethylcarbamoylamino)propanoic acid
CID 4273789
(2R)-N-(furan-2-ylmethyl)-2-hydroxypropanamide
CID 93242884
1-(furan-2-ylmethyl)-3-(4-hydroxy-2-methylbutyl)urea
CID 111470946
1-(furan-2-ylmethyl)-2-methyl-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]guanidine
CID 110935023
1-[(E)-2,3-dimethylbut-1-enyl]-3-(furan-2-ylmethyl)urea
CID 108914673
2-[5-(furan-2-ylmethyl)-1,2,4-oxadiazol-3-yl]acetic acid
CID 115079625
N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]-2-phenylpropanamide
CID 50755004

Frequently Asked Questions

What is the IUPAC name of 1-(furan-2-ylmethyl)-3-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]urea?
The IUPAC name of 1-(furan-2-ylmethyl)-3-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]urea (CID 71876869) is 1-(furan-2-ylmethyl)-3-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]urea.
What is the SMILES notation for 1-(furan-2-ylmethyl)-3-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]urea?
The canonical SMILES for 1-(furan-2-ylmethyl)-3-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]urea is CC(C)Cc1noc(CNC(=O)NCc2ccco2)n1.
What is the InChIKey of 1-(furan-2-ylmethyl)-3-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]urea?
The InChIKey is UASIAMQPXGJEAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O3/c1-9(2)6-11-16-12(20-17-11)8-15-13(18)14-7-10-4-3-5-19-10/h3-5,9H,6-8H2,1-2H3,(H2,14,15,18).
What are the key properties of 1-(furan-2-ylmethyl)-3-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]urea?
1-(furan-2-ylmethyl)-3-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]urea has a molecular weight of 278.31 g/mol, XLogP of 1.86, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-2-ylmethyl)-3-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]urea is sourced from PubChem (CID 71876869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).