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

C13H15FN4O2 — CID 39854669

IUPAC1-ethyl-3-(3-fluorophenyl)-1-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]urea
SMILESCCN(Cc1nonc1C)C(=O)Nc1cccc(F)c1
InChIInChI=1S/C13H15FN4O2/c1-3-18(8-12-9(2)16-20-17-12)13(19)15-11-6-4-5-10(14)7-11/h4-7H,3,8H2,1-2H3,(H,15,19)
InChIKeyLKPXBFHMQIMPQT-UHFFFAOYSA-N
MW278.29 g/mol
LogP2.57
Rot. Bonds4

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

1-ethyl-3-(3-fluorophenyl)-1-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]urea (PubChem CID 39854669) has the molecular formula C13H15FN4O2 and a molecular weight of 278.29 g/mol. Its IUPAC name is 1-ethyl-3-(3-fluorophenyl)-1-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]urea.

Molecular Properties

Compound Name1-ethyl-3-(3-fluorophenyl)-1-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]urea
PubChem CID39854669
Molecular FormulaC13H15FN4O2
Molecular Weight278.29 g/mol
Exact Mass278.12
IUPAC Name1-ethyl-3-(3-fluorophenyl)-1-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]urea
SMILESCCN(Cc1nonc1C)C(=O)Nc1cccc(F)c1
InChIInChI=1S/C13H15FN4O2/c1-3-18(8-12-9(2)16-20-17-12)13(19)15-11-6-4-5-10(14)7-11/h4-7H,3,8H2,1-2H3,(H,15,19)
InChIKeyLKPXBFHMQIMPQT-UHFFFAOYSA-N
XLogP2.57
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.29
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-ethyl-1-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-3-(4-propan-2-ylphenyl)urea
CID 39891547
1-ethyl-3-(3-fluorophenyl)-1-methylurea
CID 115603508
1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-(3-fluorophenyl)-1-methylurea
CID 47192595
N-ethyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-2-phenoxyacetamide
CID 39854679
methyl 2-[(3-fluorophenyl)carbamoyl-propylamino]acetate
CID 55006210
1-[(2S)-butan-2-yl]-3-(3-fluorophenyl)-1-methylurea
CID 52662031
1-[2-(dimethylamino)ethyl]-3-(3-fluorophenyl)-1-[(3-hydroxyphenyl)methyl]urea
CID 60609367
2-[ethyl(2-methylprop-2-enyl)amino]-N-(3-fluorophenyl)acetamide
CID 78787752
1-ethyl-1-[(3-fluorophenyl)methyl]-3-(4-sulfamoylphenyl)urea
CID 27871672
2-[4-[2-(diethylamino)-2-oxoethyl]piperazine-1,4-diium-1-yl]-N-(3-fluorophenyl)acetamide
CID 8711138
ethyl 2-[[(3-fluorophenyl)carbamoyl-(3-methylbutyl)amino]methyl]-1,3-thiazole-4-carboxylate
CID 1198455
1-ethyl-1-[(3-fluorophenyl)methyl]-3-(4-methyl-1,3-thiazol-2-yl)urea
CID 47194248

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-(3-fluorophenyl)-1-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]urea?
The IUPAC name of 1-ethyl-3-(3-fluorophenyl)-1-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]urea (CID 39854669) is 1-ethyl-3-(3-fluorophenyl)-1-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]urea.
What is the SMILES notation for 1-ethyl-3-(3-fluorophenyl)-1-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]urea?
The canonical SMILES for 1-ethyl-3-(3-fluorophenyl)-1-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]urea is CCN(Cc1nonc1C)C(=O)Nc1cccc(F)c1.
What is the InChIKey of 1-ethyl-3-(3-fluorophenyl)-1-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]urea?
The InChIKey is LKPXBFHMQIMPQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN4O2/c1-3-18(8-12-9(2)16-20-17-12)13(19)15-11-6-4-5-10(14)7-11/h4-7H,3,8H2,1-2H3,(H,15,19).
What are the key properties of 1-ethyl-3-(3-fluorophenyl)-1-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]urea?
1-ethyl-3-(3-fluorophenyl)-1-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]urea has a molecular weight of 278.29 g/mol, XLogP of 2.57, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-(3-fluorophenyl)-1-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]urea is sourced from PubChem (CID 39854669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).