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

C15H21N5O3 — CID 18716817

IUPAC1-[3-(2,4-dimethylphenoxy)propyl]-3-[(3-methyl-1,2,4-oxadiazol-5-yl)amino]urea
SMILESCc1ccc(OCCCNC(=O)NNc2nc(C)no2)c(C)c1
InChIInChI=1S/C15H21N5O3/c1-10-5-6-13(11(2)9-10)22-8-4-7-16-14(21)18-19-15-17-12(3)20-23-15/h5-6,9H,4,7-8H2,1-3H3,(H2,16,18,21)(H,17,19,20)
InChIKeyUYKLMFHAPTVVSJ-UHFFFAOYSA-N
MW319.37 g/mol
LogP2.09
Rot. Bonds7

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

1-[3-(2,4-dimethylphenoxy)propyl]-3-[(3-methyl-1,2,4-oxadiazol-5-yl)amino]urea (PubChem CID 18716817) has the molecular formula C15H21N5O3 and a molecular weight of 319.37 g/mol. Its IUPAC name is 1-[3-(2,4-dimethylphenoxy)propyl]-3-[(3-methyl-1,2,4-oxadiazol-5-yl)amino]urea.

Molecular Properties

Compound Name1-[3-(2,4-dimethylphenoxy)propyl]-3-[(3-methyl-1,2,4-oxadiazol-5-yl)amino]urea
PubChem CID18716817
Molecular FormulaC15H21N5O3
Molecular Weight319.37 g/mol
Exact Mass319.16
IUPAC Name1-[3-(2,4-dimethylphenoxy)propyl]-3-[(3-methyl-1,2,4-oxadiazol-5-yl)amino]urea
SMILESCc1ccc(OCCCNC(=O)NNc2nc(C)no2)c(C)c1
InChIInChI=1S/C15H21N5O3/c1-10-5-6-13(11(2)9-10)22-8-4-7-16-14(21)18-19-15-17-12(3)20-23-15/h5-6,9H,4,7-8H2,1-3H3,(H2,16,18,21)(H,17,19,20)
InChIKeyUYKLMFHAPTVVSJ-UHFFFAOYSA-N
XLogP2.09
TPSA101.31 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.37
LogP ≤ 52.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 1-[3-(2,4-dimethylphenoxy)propyl]-3-[(3-methyl-1,2,4-oxadiazol-5-yl)amino]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

1-[3-(2,4-dimethylphenoxy)propyl]-3-[(3-methylsulfanyl-1,2,4-oxadiazol-5-yl)amino]urea
CID 59057856
1-butyl-3-[2-(2,4-dimethylphenoxy)ethyl]urea
CID 112973601
N-[3-(2,4-dimethylphenoxy)propyl]propanamide
CID 20669618
1-[2-(dimethylamino)ethyl]-3-[2-(2,4-dimethylphenoxy)ethyl]urea
CID 112973611
1-[(4-cyano-1-methylpyrazol-5-yl)amino]-3-[3-(2,4-dimethylphenoxy)propyl]urea
CID 18716911
1-(2-chloro-4,5-diisocyanoanilino)-3-[4-(2,4-dimethylphenoxy)butyl]urea
CID 54352577
2-(4,5-dimethyl-4,5-dihydro-1,3-oxazol-2-yl)-N-[3-(2,4-dimethylphenoxy)propyl]acetamide
CID 59000260
1-[3-(dimethylamino)propyl]-3-[(2,4-dimethylphenoxy)methyl]urea
CID 108870723
2-[2-(2,4-dimethylphenoxy)ethylamino]acetic acid
CID 94684404
1-(3-butoxypropyl)-3-[(2,4-dimethylphenoxy)methyl]urea
CID 108870596
1-(1,2-dihydro-[1,3]oxazolo[5,4-b]pyridin-2-ylamino)-3-[3-(2,4-dimethylphenoxy)propyl]urea
CID 91100843
N-[2-[2-(2,4-dimethylphenoxy)ethylcarbamoylamino]ethyl]benzamide
CID 36962711

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2,4-dimethylphenoxy)propyl]-3-[(3-methyl-1,2,4-oxadiazol-5-yl)amino]urea?
The IUPAC name of 1-[3-(2,4-dimethylphenoxy)propyl]-3-[(3-methyl-1,2,4-oxadiazol-5-yl)amino]urea (CID 18716817) is 1-[3-(2,4-dimethylphenoxy)propyl]-3-[(3-methyl-1,2,4-oxadiazol-5-yl)amino]urea.
What is the SMILES notation for 1-[3-(2,4-dimethylphenoxy)propyl]-3-[(3-methyl-1,2,4-oxadiazol-5-yl)amino]urea?
The canonical SMILES for 1-[3-(2,4-dimethylphenoxy)propyl]-3-[(3-methyl-1,2,4-oxadiazol-5-yl)amino]urea is Cc1ccc(OCCCNC(=O)NNc2nc(C)no2)c(C)c1.
What is the InChIKey of 1-[3-(2,4-dimethylphenoxy)propyl]-3-[(3-methyl-1,2,4-oxadiazol-5-yl)amino]urea?
The InChIKey is UYKLMFHAPTVVSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5O3/c1-10-5-6-13(11(2)9-10)22-8-4-7-16-14(21)18-19-15-17-12(3)20-23-15/h5-6,9H,4,7-8H2,1-3H3,(H2,16,18,21)(H,17,19,20).
What are the key properties of 1-[3-(2,4-dimethylphenoxy)propyl]-3-[(3-methyl-1,2,4-oxadiazol-5-yl)amino]urea?
1-[3-(2,4-dimethylphenoxy)propyl]-3-[(3-methyl-1,2,4-oxadiazol-5-yl)amino]urea has a molecular weight of 319.37 g/mol, XLogP of 2.09, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2,4-dimethylphenoxy)propyl]-3-[(3-methyl-1,2,4-oxadiazol-5-yl)amino]urea is sourced from PubChem (CID 18716817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).