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

C14H17FN4O3 — CID 110921864

IUPAC1-[2-(4-fluorophenyl)-2-hydroxyethyl]-3-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]urea
SMILESCc1noc(CCNC(=O)NCC(O)c2ccc(F)cc2)n1
InChIInChI=1S/C14H17FN4O3/c1-9-18-13(22-19-9)6-7-16-14(21)17-8-12(20)10-2-4-11(15)5-3-10/h2-5,12,20H,6-8H2,1H3,(H2,16,17,21)
InChIKeyINZLMAZJRWMWKS-UHFFFAOYSA-N
MW308.31 g/mol
LogP1.09
Rot. Bonds6

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

1-[2-(4-fluorophenyl)-2-hydroxyethyl]-3-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]urea (PubChem CID 110921864) has the molecular formula C14H17FN4O3 and a molecular weight of 308.31 g/mol. Its IUPAC name is 1-[2-(4-fluorophenyl)-2-hydroxyethyl]-3-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]urea.

Molecular Properties

Compound Name1-[2-(4-fluorophenyl)-2-hydroxyethyl]-3-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]urea
PubChem CID110921864
Molecular FormulaC14H17FN4O3
Molecular Weight308.31 g/mol
Exact Mass308.13
IUPAC Name1-[2-(4-fluorophenyl)-2-hydroxyethyl]-3-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]urea
SMILESCc1noc(CCNC(=O)NCC(O)c2ccc(F)cc2)n1
InChIInChI=1S/C14H17FN4O3/c1-9-18-13(22-19-9)6-7-16-14(21)17-8-12(20)10-2-4-11(15)5-3-10/h2-5,12,20H,6-8H2,1H3,(H2,16,17,21)
InChIKeyINZLMAZJRWMWKS-UHFFFAOYSA-N
XLogP1.09
TPSA100.28 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.31
LogP ≤ 51.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-(4-fluorophenyl)-2-hydroxyethyl]-3-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]urea
CID 111111564
1-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-[2-(4-fluorophenyl)-2-hydroxyethyl]urea
CID 111108369
1-[(2R)-2-(4-fluorophenyl)-2-hydroxyethyl]-3-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]urea
CID 94181927
3-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylcarbamoylamino]propanoic acid
CID 106420746
1-[(1S)-1-(3,4-difluorophenyl)ethyl]-3-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]urea
CID 95567521
1-(2-hydroxy-2-thiophen-3-ylethyl)-3-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]urea
CID 111441048
2-[[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylcarbamoylamino]methyl]pentanoic acid
CID 106420645
1-[1-(4-ethylphenyl)ethyl]-3-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]urea
CID 56822950
1-[2-(4-fluorophenyl)-2-hydroxyethyl]-3-[2-(3-methoxy-4-methylphenyl)ethyl]urea
CID 111458129
1-[2-(2-fluorophenyl)-2-hydroxyethyl]-3-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]urea
CID 111111566
2-amino-5-fluoro-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]benzamide
CID 106413315
1-[2-(2-ethoxyphenyl)ethyl]-3-[2-(4-fluorophenyl)-2-hydroxyethyl]urea
CID 110929828

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-fluorophenyl)-2-hydroxyethyl]-3-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]urea?
The IUPAC name of 1-[2-(4-fluorophenyl)-2-hydroxyethyl]-3-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]urea (CID 110921864) is 1-[2-(4-fluorophenyl)-2-hydroxyethyl]-3-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]urea.
What is the SMILES notation for 1-[2-(4-fluorophenyl)-2-hydroxyethyl]-3-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]urea?
The canonical SMILES for 1-[2-(4-fluorophenyl)-2-hydroxyethyl]-3-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]urea is Cc1noc(CCNC(=O)NCC(O)c2ccc(F)cc2)n1.
What is the InChIKey of 1-[2-(4-fluorophenyl)-2-hydroxyethyl]-3-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]urea?
The InChIKey is INZLMAZJRWMWKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN4O3/c1-9-18-13(22-19-9)6-7-16-14(21)17-8-12(20)10-2-4-11(15)5-3-10/h2-5,12,20H,6-8H2,1H3,(H2,16,17,21).
What are the key properties of 1-[2-(4-fluorophenyl)-2-hydroxyethyl]-3-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]urea?
1-[2-(4-fluorophenyl)-2-hydroxyethyl]-3-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]urea has a molecular weight of 308.31 g/mol, XLogP of 1.09, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-fluorophenyl)-2-hydroxyethyl]-3-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]urea is sourced from PubChem (CID 110921864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).