3-[(3,4-dimethylphenyl)methyl]-1-ethyl-1-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]urea

C18H26N4O2 — CID 121495878

IUPAC3-[(3,4-dimethylphenyl)methyl]-1-ethyl-1-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]urea
SMILESCCCc1nc(CN(CC)C(=O)NCc2ccc(C)c(C)c2)no1
InChIInChI=1S/C18H26N4O2/c1-5-7-17-20-16(21-24-17)12-22(6-2)18(23)19-11-15-9-8-13(3)14(4)10-15/h8-10H,5-7,11-12H2,1-4H3,(H,19,23)
InChIKeyVVLRWGYOBPMDJX-UHFFFAOYSA-N
MW330.43 g/mol
LogP3.37
Rot. Bonds7

About 3-[(3,4-dimethylphenyl)methyl]-1-ethyl-1-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]urea

3-[(3,4-dimethylphenyl)methyl]-1-ethyl-1-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]urea (PubChem CID 121495878) has the molecular formula C18H26N4O2 and a molecular weight of 330.43 g/mol. Its IUPAC name is 3-[(3,4-dimethylphenyl)methyl]-1-ethyl-1-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]urea.

Molecular Properties

Compound Name3-[(3,4-dimethylphenyl)methyl]-1-ethyl-1-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]urea
PubChem CID121495878
Molecular FormulaC18H26N4O2
Molecular Weight330.43 g/mol
Exact Mass330.21
IUPAC Name3-[(3,4-dimethylphenyl)methyl]-1-ethyl-1-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]urea
SMILESCCCc1nc(CN(CC)C(=O)NCc2ccc(C)c(C)c2)no1
InChIInChI=1S/C18H26N4O2/c1-5-7-17-20-16(21-24-17)12-22(6-2)18(23)19-11-15-9-8-13(3)14(4)10-15/h8-10H,5-7,11-12H2,1-4H3,(H,19,23)
InChIKeyVVLRWGYOBPMDJX-UHFFFAOYSA-N
XLogP3.37
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-[(3,4-dimethylphenyl)methyl]-1-ethyl-1-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]urea with MolForge

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Related Compounds

1-ethyl-3-[[(2S)-oxan-2-yl]methyl]-1-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]urea
CID 126443340
N-[[5-[(3,4-dimethylphenyl)methyl]-1,2,4-oxadiazol-3-yl]methyl]ethanamine
CID 62538489
4-[3-[(3,4-dimethylphenyl)methyl]-1,2,4-oxadiazol-5-yl]butan-2-one
CID 63344782
N-ethyl-N-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]indolizine-3-carboxamide
CID 162631833
4-[[methyl-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]amino]methyl]benzoic acid
CID 61496101
N-ethyl-4-methyl-N-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]-2,3-dihydro-1,4-benzoxazine-7-carboxamide
CID 50956228
N,N-diethyl-3-(3-propyl-1,2,4-oxadiazol-5-yl)propanamide
CID 51076743
(2R)-N-[(4-methylphenyl)methyl]-2-[(S)-(5-propyl-1,2,4-oxadiazol-3-yl)methylsulfinyl]propanamide
CID 95064165
3-[(3,4-dimethylphenyl)methylamino]-N,N-diethylpropanamide
CID 54935720
3-[3-[(3,4-dimethylphenyl)methyl]-1,2,4-oxadiazol-5-yl]-N-methylpropan-1-amine
CID 62901278
N-ethyl-2-(3-oxo-1,2-benzothiazol-2-yl)-N-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]acetamide
CID 72907544
N-ethyl-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]-N-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]acetamide
CID 46995525

Frequently Asked Questions

What is the IUPAC name of 3-[(3,4-dimethylphenyl)methyl]-1-ethyl-1-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]urea?
The IUPAC name of 3-[(3,4-dimethylphenyl)methyl]-1-ethyl-1-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]urea (CID 121495878) is 3-[(3,4-dimethylphenyl)methyl]-1-ethyl-1-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]urea.
What is the SMILES notation for 3-[(3,4-dimethylphenyl)methyl]-1-ethyl-1-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]urea?
The canonical SMILES for 3-[(3,4-dimethylphenyl)methyl]-1-ethyl-1-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]urea is CCCc1nc(CN(CC)C(=O)NCc2ccc(C)c(C)c2)no1.
What is the InChIKey of 3-[(3,4-dimethylphenyl)methyl]-1-ethyl-1-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]urea?
The InChIKey is VVLRWGYOBPMDJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O2/c1-5-7-17-20-16(21-24-17)12-22(6-2)18(23)19-11-15-9-8-13(3)14(4)10-15/h8-10H,5-7,11-12H2,1-4H3,(H,19,23).
What are the key properties of 3-[(3,4-dimethylphenyl)methyl]-1-ethyl-1-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]urea?
3-[(3,4-dimethylphenyl)methyl]-1-ethyl-1-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]urea has a molecular weight of 330.43 g/mol, XLogP of 3.37, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3,4-dimethylphenyl)methyl]-1-ethyl-1-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]urea is sourced from PubChem (CID 121495878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).