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

C14H17FN4O2 — CID 110319164

IUPAC1,1-diethyl-3-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]urea
SMILESCCN(CC)C(=O)NCc1nnc(-c2ccc(F)cc2)o1
InChIInChI=1S/C14H17FN4O2/c1-3-19(4-2)14(20)16-9-12-17-18-13(21-12)10-5-7-11(15)8-6-10/h5-8H,3-4,9H2,1-2H3,(H,16,20)
InChIKeyYMCQJJQQGVSCJP-UHFFFAOYSA-N
MW292.31 g/mol
LogP2.43
Rot. Bonds5

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

1,1-diethyl-3-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]urea (PubChem CID 110319164) has the molecular formula C14H17FN4O2 and a molecular weight of 292.31 g/mol. Its IUPAC name is 1,1-diethyl-3-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]urea.

Molecular Properties

Compound Name1,1-diethyl-3-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]urea
PubChem CID110319164
Molecular FormulaC14H17FN4O2
Molecular Weight292.31 g/mol
Exact Mass292.13
IUPAC Name1,1-diethyl-3-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]urea
SMILESCCN(CC)C(=O)NCc1nnc(-c2ccc(F)cc2)o1
InChIInChI=1S/C14H17FN4O2/c1-3-19(4-2)14(20)16-9-12-17-18-13(21-12)10-5-7-11(15)8-6-10/h5-8H,3-4,9H2,1-2H3,(H,16,20)
InChIKeyYMCQJJQQGVSCJP-UHFFFAOYSA-N
XLogP2.43
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.31
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1,1-diethyl-3-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]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

2-ethyl-N-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]butanamide
CID 110319098
N,N-diethyl-3-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]propanamide
CID 110334016
1,1-diethyl-3-[(4-fluorophenyl)methyl]urea
CID 3851579
N-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-2-methoxybenzamide
CID 110319111
N-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-2-phenoxyacetamide
CID 110319129
2-[[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl-ethylamino]-N-[(4-fluorophenyl)methyl]acetamide
CID 78816852
ethyl 4-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methylamino]benzoate
CID 78793128
propyl 4-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methylamino]benzoate
CID 78822750
methyl 2-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methylamino]benzoate
CID 78822546
N-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxamide
CID 110319170
N-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)methyl]acetamide
CID 110318804
N-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]cyclopropanamine
CID 55021274

Frequently Asked Questions

What is the IUPAC name of 1,1-diethyl-3-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]urea?
The IUPAC name of 1,1-diethyl-3-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]urea (CID 110319164) is 1,1-diethyl-3-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]urea.
What is the SMILES notation for 1,1-diethyl-3-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]urea?
The canonical SMILES for 1,1-diethyl-3-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]urea is CCN(CC)C(=O)NCc1nnc(-c2ccc(F)cc2)o1.
What is the InChIKey of 1,1-diethyl-3-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]urea?
The InChIKey is YMCQJJQQGVSCJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN4O2/c1-3-19(4-2)14(20)16-9-12-17-18-13(21-12)10-5-7-11(15)8-6-10/h5-8H,3-4,9H2,1-2H3,(H,16,20).
What are the key properties of 1,1-diethyl-3-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]urea?
1,1-diethyl-3-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]urea has a molecular weight of 292.31 g/mol, XLogP of 2.43, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-diethyl-3-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]urea is sourced from PubChem (CID 110319164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).