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

C14H18N4O2 — CID 72863703

IUPAC3-(2,3-dimethylphenyl)-1-methyl-1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]urea
SMILESCc1nnc(CN(C)C(=O)Nc2cccc(C)c2C)o1
InChIInChI=1S/C14H18N4O2/c1-9-6-5-7-12(10(9)2)15-14(19)18(4)8-13-17-16-11(3)20-13/h5-7H,8H2,1-4H3,(H,15,19)
InChIKeyPMUDGDOQEJFVCN-UHFFFAOYSA-N
MW274.32 g/mol
LogP2.66
Rot. Bonds3

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

3-(2,3-dimethylphenyl)-1-methyl-1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]urea (PubChem CID 72863703) has the molecular formula C14H18N4O2 and a molecular weight of 274.32 g/mol. Its IUPAC name is 3-(2,3-dimethylphenyl)-1-methyl-1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]urea.

Molecular Properties

Compound Name3-(2,3-dimethylphenyl)-1-methyl-1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]urea
PubChem CID72863703
Molecular FormulaC14H18N4O2
Molecular Weight274.32 g/mol
Exact Mass274.14
IUPAC Name3-(2,3-dimethylphenyl)-1-methyl-1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]urea
SMILESCc1nnc(CN(C)C(=O)Nc2cccc(C)c2C)o1
InChIInChI=1S/C14H18N4O2/c1-9-6-5-7-12(10(9)2)15-14(19)18(4)8-13-17-16-11(3)20-13/h5-7H,8H2,1-4H3,(H,15,19)
InChIKeyPMUDGDOQEJFVCN-UHFFFAOYSA-N
XLogP2.66
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[2-(3,5-dimethylphenoxy)-6-fluorophenyl]-1-methyl-1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]urea
CID 132972570
3-(2,3-dimethylphenyl)-1-methyl-1-[2-(oxan-4-yl)ethyl]urea
CID 72849512
N,N'-bis(2,3-dimethylphenyl)butanediamide
CID 4250073
N-(2,3-dimethylphenyl)-2,4-dimethyl-1,3-oxazole-5-carboxamide
CID 5307726
2-[2,5-dimethyl-3-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrol-1-yl]-N-(2,3-dimethylphenyl)acetamide
CID 53155219
N-(2,3-dimethylphenyl)-2-methyl-1,3-oxazole-4-carboxamide
CID 30464286
N'-benzyl-N-(2,3-dimethylphenyl)-N'-methylpropanediamide
CID 108946105
N-(2,3-dimethylphenyl)-2-hydroxyacetamide
CID 16769655
methyl 2-[[(2,3-dimethylphenyl)carbamoyl-propan-2-ylamino]methyl]-1,3-oxazole-4-carboxylate
CID 810996
N-(4-bromo-2-methylphenyl)-2-[methyl-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]amino]acetamide
CID 8790419
1,1-dibutyl-3-(2,3-dimethylphenyl)urea
CID 4157557
4-methyl-N-[3-[methyl-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]amino]-3-oxopropyl]benzamide
CID 90647350

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dimethylphenyl)-1-methyl-1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]urea?
The IUPAC name of 3-(2,3-dimethylphenyl)-1-methyl-1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]urea (CID 72863703) is 3-(2,3-dimethylphenyl)-1-methyl-1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]urea.
What is the SMILES notation for 3-(2,3-dimethylphenyl)-1-methyl-1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]urea?
The canonical SMILES for 3-(2,3-dimethylphenyl)-1-methyl-1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]urea is Cc1nnc(CN(C)C(=O)Nc2cccc(C)c2C)o1.
What is the InChIKey of 3-(2,3-dimethylphenyl)-1-methyl-1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]urea?
The InChIKey is PMUDGDOQEJFVCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O2/c1-9-6-5-7-12(10(9)2)15-14(19)18(4)8-13-17-16-11(3)20-13/h5-7H,8H2,1-4H3,(H,15,19).
What are the key properties of 3-(2,3-dimethylphenyl)-1-methyl-1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]urea?
3-(2,3-dimethylphenyl)-1-methyl-1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]urea has a molecular weight of 274.32 g/mol, XLogP of 2.66, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dimethylphenyl)-1-methyl-1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]urea is sourced from PubChem (CID 72863703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).