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

C16H19FN4O2 — CID 97074232

IUPAC1-[(1S,2S)-5-fluoro-2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl]-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]urea
SMILESCc1nc(CNC(=O)N[C@@H]2c3cccc(F)c3CC[C@@H]2C)no1
InChIInChI=1S/C16H19FN4O2/c1-9-6-7-11-12(4-3-5-13(11)17)15(9)20-16(22)18-8-14-19-10(2)23-21-14/h3-5,9,15H,6-8H2,1-2H3,(H2,18,20,22)/t9-,15-/m0/s1
InChIKeyOGTTZNOLBGHRNN-VFZGTOFNSA-N
MW318.35 g/mol
LogP2.64
Rot. Bonds3

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

1-[(1S,2S)-5-fluoro-2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl]-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]urea (PubChem CID 97074232) has the molecular formula C16H19FN4O2 and a molecular weight of 318.35 g/mol. Its IUPAC name is 1-[(1S,2S)-5-fluoro-2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl]-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]urea.

Molecular Properties

Compound Name1-[(1S,2S)-5-fluoro-2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl]-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]urea
PubChem CID97074232
Molecular FormulaC16H19FN4O2
Molecular Weight318.35 g/mol
Exact Mass318.15
IUPAC Name1-[(1S,2S)-5-fluoro-2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl]-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]urea
SMILESCc1nc(CNC(=O)N[C@@H]2c3cccc(F)c3CC[C@@H]2C)no1
InChIInChI=1S/C16H19FN4O2/c1-9-6-7-11-12(4-3-5-13(11)17)15(9)20-16(22)18-8-14-19-10(2)23-21-14/h3-5,9,15H,6-8H2,1-2H3,(H2,18,20,22)/t9-,15-/m0/s1
InChIKeyOGTTZNOLBGHRNN-VFZGTOFNSA-N
XLogP2.64
TPSA80.05 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.35
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(1S,2S)-5-fluoro-2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl]-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]urea?
The IUPAC name of 1-[(1S,2S)-5-fluoro-2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl]-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]urea (CID 97074232) is 1-[(1S,2S)-5-fluoro-2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl]-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]urea.
What is the SMILES notation for 1-[(1S,2S)-5-fluoro-2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl]-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]urea?
The canonical SMILES for 1-[(1S,2S)-5-fluoro-2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl]-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]urea is Cc1nc(CNC(=O)N[C@@H]2c3cccc(F)c3CC[C@@H]2C)no1.
What is the InChIKey of 1-[(1S,2S)-5-fluoro-2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl]-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]urea?
The InChIKey is OGTTZNOLBGHRNN-VFZGTOFNSA-N. The full InChI is InChI=1S/C16H19FN4O2/c1-9-6-7-11-12(4-3-5-13(11)17)15(9)20-16(22)18-8-14-19-10(2)23-21-14/h3-5,9,15H,6-8H2,1-2H3,(H2,18,20,22)/t9-,15-/m0/s1.
What are the key properties of 1-[(1S,2S)-5-fluoro-2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl]-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]urea?
1-[(1S,2S)-5-fluoro-2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl]-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]urea has a molecular weight of 318.35 g/mol, XLogP of 2.64, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S,2S)-5-fluoro-2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl]-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]urea is sourced from PubChem (CID 97074232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).