1-[[5-fluoro-2-(2-methylimidazol-1-yl)phenyl]methyl]-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]urea

C16H17FN6O2 — CID 75374809

IUPAC1-[[5-fluoro-2-(2-methylimidazol-1-yl)phenyl]methyl]-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]urea
SMILESCc1nc(CNC(=O)NCc2cc(F)ccc2-n2ccnc2C)no1
InChIInChI=1S/C16H17FN6O2/c1-10-18-5-6-23(10)14-4-3-13(17)7-12(14)8-19-16(24)20-9-15-21-11(2)25-22-15/h3-7H,8-9H2,1-2H3,(H2,19,20,24)
InChIKeyBYMAGQPNXLVSEB-UHFFFAOYSA-N
MW344.35 g/mol
LogP2.01
Rot. Bonds5

About 1-[[5-fluoro-2-(2-methylimidazol-1-yl)phenyl]methyl]-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]urea

1-[[5-fluoro-2-(2-methylimidazol-1-yl)phenyl]methyl]-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]urea (PubChem CID 75374809) has the molecular formula C16H17FN6O2 and a molecular weight of 344.35 g/mol. Its IUPAC name is 1-[[5-fluoro-2-(2-methylimidazol-1-yl)phenyl]methyl]-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]urea.

Molecular Properties

Compound Name1-[[5-fluoro-2-(2-methylimidazol-1-yl)phenyl]methyl]-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]urea
PubChem CID75374809
Molecular FormulaC16H17FN6O2
Molecular Weight344.35 g/mol
Exact Mass344.14
IUPAC Name1-[[5-fluoro-2-(2-methylimidazol-1-yl)phenyl]methyl]-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]urea
SMILESCc1nc(CNC(=O)NCc2cc(F)ccc2-n2ccnc2C)no1
InChIInChI=1S/C16H17FN6O2/c1-10-18-5-6-23(10)14-4-3-13(17)7-12(14)8-19-16(24)20-9-15-21-11(2)25-22-15/h3-7H,8-9H2,1-2H3,(H2,19,20,24)
InChIKeyBYMAGQPNXLVSEB-UHFFFAOYSA-N
XLogP2.01
TPSA97.87 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.35
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[[5-fluoro-2-(2-methylimidazol-1-yl)phenyl]methyl]-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]urea?
The IUPAC name of 1-[[5-fluoro-2-(2-methylimidazol-1-yl)phenyl]methyl]-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]urea (CID 75374809) is 1-[[5-fluoro-2-(2-methylimidazol-1-yl)phenyl]methyl]-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]urea.
What is the SMILES notation for 1-[[5-fluoro-2-(2-methylimidazol-1-yl)phenyl]methyl]-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]urea?
The canonical SMILES for 1-[[5-fluoro-2-(2-methylimidazol-1-yl)phenyl]methyl]-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]urea is Cc1nc(CNC(=O)NCc2cc(F)ccc2-n2ccnc2C)no1.
What is the InChIKey of 1-[[5-fluoro-2-(2-methylimidazol-1-yl)phenyl]methyl]-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]urea?
The InChIKey is BYMAGQPNXLVSEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN6O2/c1-10-18-5-6-23(10)14-4-3-13(17)7-12(14)8-19-16(24)20-9-15-21-11(2)25-22-15/h3-7H,8-9H2,1-2H3,(H2,19,20,24).
What are the key properties of 1-[[5-fluoro-2-(2-methylimidazol-1-yl)phenyl]methyl]-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]urea?
1-[[5-fluoro-2-(2-methylimidazol-1-yl)phenyl]methyl]-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]urea has a molecular weight of 344.35 g/mol, XLogP of 2.01, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[5-fluoro-2-(2-methylimidazol-1-yl)phenyl]methyl]-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]urea is sourced from PubChem (CID 75374809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).