1,1-dimethyl-3-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)propyl]urea

C14H18N4O2 — CID 110293678

IUPAC1,1-dimethyl-3-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)propyl]urea
SMILESCN(C)C(=O)NCCCc1nc(-c2ccccc2)no1
InChIInChI=1S/C14H18N4O2/c1-18(2)14(19)15-10-6-9-12-16-13(17-20-12)11-7-4-3-5-8-11/h3-5,7-8H,6,9-10H2,1-2H3,(H,15,19)
InChIKeyIDOYHGMALPHYJX-UHFFFAOYSA-N
MW274.32 g/mol
LogP1.94
Rot. Bonds5

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

1,1-dimethyl-3-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)propyl]urea (PubChem CID 110293678) has the molecular formula C14H18N4O2 and a molecular weight of 274.32 g/mol. Its IUPAC name is 1,1-dimethyl-3-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)propyl]urea.

Molecular Properties

Compound Name1,1-dimethyl-3-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)propyl]urea
PubChem CID110293678
Molecular FormulaC14H18N4O2
Molecular Weight274.32 g/mol
Exact Mass274.14
IUPAC Name1,1-dimethyl-3-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)propyl]urea
SMILESCN(C)C(=O)NCCCc1nc(-c2ccccc2)no1
InChIInChI=1S/C14H18N4O2/c1-18(2)14(19)15-10-6-9-12-16-13(17-20-12)11-7-4-3-5-8-11/h3-5,7-8H,6,9-10H2,1-2H3,(H,15,19)
InChIKeyIDOYHGMALPHYJX-UHFFFAOYSA-N
XLogP1.94
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-1,1-dimethylurea
CID 110324015
2,6-dimethoxy-N-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)propyl]benzamide
CID 110293648
3-phenoxy-N-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)propyl]propanamide
CID 110293659
3-[3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]propylcarbamoyl-methylamino]propanoic acid
CID 122009623
1-methyl-1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-3-propylurea
CID 17275261
N-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)propyl]-2-thiophen-2-ylacetamide
CID 110293651
N-[2-(dimethylamino)-2-oxoethyl]-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanamide
CID 9481051
3-methoxy-N-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)propyl]benzamide
CID 110293645
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)propyl]acetamide
CID 110632254
N-(2-phenylethyl)-4-(3-phenyl-1,2,4-oxadiazol-5-yl)butanamide
CID 17101225
3-(3-phenyl-1,2,4-oxadiazol-5-yl)-N-propylpropanamide
CID 3159509
N-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]butanamide
CID 110323289

Frequently Asked Questions

What is the IUPAC name of 1,1-dimethyl-3-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)propyl]urea?
The IUPAC name of 1,1-dimethyl-3-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)propyl]urea (CID 110293678) is 1,1-dimethyl-3-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)propyl]urea.
What is the SMILES notation for 1,1-dimethyl-3-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)propyl]urea?
The canonical SMILES for 1,1-dimethyl-3-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)propyl]urea is CN(C)C(=O)NCCCc1nc(-c2ccccc2)no1.
What is the InChIKey of 1,1-dimethyl-3-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)propyl]urea?
The InChIKey is IDOYHGMALPHYJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O2/c1-18(2)14(19)15-10-6-9-12-16-13(17-20-12)11-7-4-3-5-8-11/h3-5,7-8H,6,9-10H2,1-2H3,(H,15,19).
What are the key properties of 1,1-dimethyl-3-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)propyl]urea?
1,1-dimethyl-3-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)propyl]urea has a molecular weight of 274.32 g/mol, XLogP of 1.94, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dimethyl-3-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)propyl]urea is sourced from PubChem (CID 110293678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).