1-methyl-1-prop-2-enoxy-3-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]urea

C14H13F3N4O3 — CID 134367014

IUPAC1-methyl-1-prop-2-enoxy-3-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]urea
SMILESC=CCON(C)C(=O)Nc1ccc(-c2noc(C(F)(F)F)n2)cc1
InChIInChI=1S/C14H13F3N4O3/c1-3-8-23-21(2)13(22)18-10-6-4-9(5-7-10)11-19-12(24-20-11)14(15,16)17/h3-7H,1,8H2,2H3,(H,18,22)
InChIKeyCARJMFNMLWCKAD-UHFFFAOYSA-N
MW342.28 g/mol
LogP3.34
Rot. Bonds5

About 1-methyl-1-prop-2-enoxy-3-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]urea

1-methyl-1-prop-2-enoxy-3-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]urea (PubChem CID 134367014) has the molecular formula C14H13F3N4O3 and a molecular weight of 342.28 g/mol. Its IUPAC name is 1-methyl-1-prop-2-enoxy-3-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]urea.

Molecular Properties

Compound Name1-methyl-1-prop-2-enoxy-3-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]urea
PubChem CID134367014
Molecular FormulaC14H13F3N4O3
Molecular Weight342.28 g/mol
Exact Mass342.09
IUPAC Name1-methyl-1-prop-2-enoxy-3-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]urea
SMILESC=CCON(C)C(=O)Nc1ccc(-c2noc(C(F)(F)F)n2)cc1
InChIInChI=1S/C14H13F3N4O3/c1-3-8-23-21(2)13(22)18-10-6-4-9(5-7-10)11-19-12(24-20-11)14(15,16)17/h3-7H,1,8H2,2H3,(H,18,22)
InChIKeyCARJMFNMLWCKAD-UHFFFAOYSA-N
XLogP3.34
TPSA80.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.28
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 1-methyl-1-prop-2-enoxy-3-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]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-(2-methoxyethyl)-1-methyl-3-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]urea
CID 145340178
N-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]acetamide
CID 19847727
(2S)-2-amino-N-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]propanamide
CID 119314171
2-methyl-N-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]propanamide
CID 134367043
methyl N-methyl-N-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]carbamate
CID 151854523
3-methoxy-1-methyl-1-[[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]urea
CID 146521115
3-[methyl(prop-2-enyl)amino]-4-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]anilino]cyclobut-3-ene-1,2-dione
CID 155192015
7-amino-N-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]heptanamide
CID 119767457
1-prop-2-enyl-3-[[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]urea
CID 135326353
4-amino-N-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]pentanamide
CID 120561997
4-methyl-4-[[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]carbamoylamino]pentanoic acid
CID 122078908
1-fluoro-N-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]cyclopropane-1-carboxamide
CID 134366998

Frequently Asked Questions

What is the IUPAC name of 1-methyl-1-prop-2-enoxy-3-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]urea?
The IUPAC name of 1-methyl-1-prop-2-enoxy-3-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]urea (CID 134367014) is 1-methyl-1-prop-2-enoxy-3-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]urea.
What is the SMILES notation for 1-methyl-1-prop-2-enoxy-3-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]urea?
The canonical SMILES for 1-methyl-1-prop-2-enoxy-3-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]urea is C=CCON(C)C(=O)Nc1ccc(-c2noc(C(F)(F)F)n2)cc1.
What is the InChIKey of 1-methyl-1-prop-2-enoxy-3-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]urea?
The InChIKey is CARJMFNMLWCKAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F3N4O3/c1-3-8-23-21(2)13(22)18-10-6-4-9(5-7-10)11-19-12(24-20-11)14(15,16)17/h3-7H,1,8H2,2H3,(H,18,22).
What are the key properties of 1-methyl-1-prop-2-enoxy-3-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]urea?
1-methyl-1-prop-2-enoxy-3-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]urea has a molecular weight of 342.28 g/mol, XLogP of 3.34, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-1-prop-2-enoxy-3-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]urea is sourced from PubChem (CID 134367014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).