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

C14H20FN7O2 — CID 154753634

IUPAC1-[[(2S,4S)-4-fluoro-1-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrolidin-2-yl]methyl]-1-methyl-3-(1-methylpyrazol-4-yl)urea
SMILESCc1nnc(N2C[C@@H](F)C[C@H]2CN(C)C(=O)Nc2cnn(C)c2)o1
InChIInChI=1S/C14H20FN7O2/c1-9-18-19-14(24-9)22-6-10(15)4-12(22)8-20(2)13(23)17-11-5-16-21(3)7-11/h5,7,10,12H,4,6,8H2,1-3H3,(H,17,23)/t10-,12-/m0/s1
InChIKeyAUIAYDQXPLZVGJ-JQWIXIFHSA-N
MW337.36 g/mol
LogP1.19
Rot. Bonds4

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

1-[[(2S,4S)-4-fluoro-1-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrolidin-2-yl]methyl]-1-methyl-3-(1-methylpyrazol-4-yl)urea (PubChem CID 154753634) has the molecular formula C14H20FN7O2 and a molecular weight of 337.36 g/mol. Its IUPAC name is 1-[[(2S,4S)-4-fluoro-1-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrolidin-2-yl]methyl]-1-methyl-3-(1-methylpyrazol-4-yl)urea.

Molecular Properties

Compound Name1-[[(2S,4S)-4-fluoro-1-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrolidin-2-yl]methyl]-1-methyl-3-(1-methylpyrazol-4-yl)urea
PubChem CID154753634
Molecular FormulaC14H20FN7O2
Molecular Weight337.36 g/mol
Exact Mass337.17
IUPAC Name1-[[(2S,4S)-4-fluoro-1-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrolidin-2-yl]methyl]-1-methyl-3-(1-methylpyrazol-4-yl)urea
SMILESCc1nnc(N2C[C@@H](F)C[C@H]2CN(C)C(=O)Nc2cnn(C)c2)o1
InChIInChI=1S/C14H20FN7O2/c1-9-18-19-14(24-9)22-6-10(15)4-12(22)8-20(2)13(23)17-11-5-16-21(3)7-11/h5,7,10,12H,4,6,8H2,1-3H3,(H,17,23)/t10-,12-/m0/s1
InChIKeyAUIAYDQXPLZVGJ-JQWIXIFHSA-N
XLogP1.19
TPSA92.32 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.36
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[[(2S,4S)-4-fluoro-1-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrolidin-2-yl]methyl]-1-methyl-3-(1-methylpyrazol-4-yl)urea?
The IUPAC name of 1-[[(2S,4S)-4-fluoro-1-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrolidin-2-yl]methyl]-1-methyl-3-(1-methylpyrazol-4-yl)urea (CID 154753634) is 1-[[(2S,4S)-4-fluoro-1-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrolidin-2-yl]methyl]-1-methyl-3-(1-methylpyrazol-4-yl)urea.
What is the SMILES notation for 1-[[(2S,4S)-4-fluoro-1-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrolidin-2-yl]methyl]-1-methyl-3-(1-methylpyrazol-4-yl)urea?
The canonical SMILES for 1-[[(2S,4S)-4-fluoro-1-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrolidin-2-yl]methyl]-1-methyl-3-(1-methylpyrazol-4-yl)urea is Cc1nnc(N2C[C@@H](F)C[C@H]2CN(C)C(=O)Nc2cnn(C)c2)o1.
What is the InChIKey of 1-[[(2S,4S)-4-fluoro-1-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrolidin-2-yl]methyl]-1-methyl-3-(1-methylpyrazol-4-yl)urea?
The InChIKey is AUIAYDQXPLZVGJ-JQWIXIFHSA-N. The full InChI is InChI=1S/C14H20FN7O2/c1-9-18-19-14(24-9)22-6-10(15)4-12(22)8-20(2)13(23)17-11-5-16-21(3)7-11/h5,7,10,12H,4,6,8H2,1-3H3,(H,17,23)/t10-,12-/m0/s1.
What are the key properties of 1-[[(2S,4S)-4-fluoro-1-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrolidin-2-yl]methyl]-1-methyl-3-(1-methylpyrazol-4-yl)urea?
1-[[(2S,4S)-4-fluoro-1-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrolidin-2-yl]methyl]-1-methyl-3-(1-methylpyrazol-4-yl)urea has a molecular weight of 337.36 g/mol, XLogP of 1.19, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(2S,4S)-4-fluoro-1-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrolidin-2-yl]methyl]-1-methyl-3-(1-methylpyrazol-4-yl)urea is sourced from PubChem (CID 154753634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).