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

C15H18FN5O2 — CID 25338703

IUPAC1-(3-fluorophenyl)-3-[(3S,5S)-1-methyl-5-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-yl]urea
SMILESCc1noc([C@@H]2C[C@H](NC(=O)Nc3cccc(F)c3)CN2C)n1
InChIInChI=1S/C15H18FN5O2/c1-9-17-14(23-20-9)13-7-12(8-21(13)2)19-15(22)18-11-5-3-4-10(16)6-11/h3-6,12-13H,7-8H2,1-2H3,(H2,18,19,22)/t12-,13-/m0/s1
InChIKeyHFAVRKDLYBXAFF-STQMWFEESA-N
MW319.34 g/mol
LogP2.08
Rot. Bonds3

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

1-(3-fluorophenyl)-3-[(3S,5S)-1-methyl-5-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-yl]urea (PubChem CID 25338703) has the molecular formula C15H18FN5O2 and a molecular weight of 319.34 g/mol. Its IUPAC name is 1-(3-fluorophenyl)-3-[(3S,5S)-1-methyl-5-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-yl]urea.

Molecular Properties

Compound Name1-(3-fluorophenyl)-3-[(3S,5S)-1-methyl-5-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-yl]urea
PubChem CID25338703
Molecular FormulaC15H18FN5O2
Molecular Weight319.34 g/mol
Exact Mass319.14
IUPAC Name1-(3-fluorophenyl)-3-[(3S,5S)-1-methyl-5-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-yl]urea
SMILESCc1noc([C@@H]2C[C@H](NC(=O)Nc3cccc(F)c3)CN2C)n1
InChIInChI=1S/C15H18FN5O2/c1-9-17-14(23-20-9)13-7-12(8-21(13)2)19-15(22)18-11-5-3-4-10(16)6-11/h3-6,12-13H,7-8H2,1-2H3,(H2,18,19,22)/t12-,13-/m0/s1
InChIKeyHFAVRKDLYBXAFF-STQMWFEESA-N
XLogP2.08
TPSA83.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.34
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 1-(3-fluorophenyl)-3-[(3S,5S)-1-methyl-5-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-yl]urea?
The IUPAC name of 1-(3-fluorophenyl)-3-[(3S,5S)-1-methyl-5-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-yl]urea (CID 25338703) is 1-(3-fluorophenyl)-3-[(3S,5S)-1-methyl-5-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-yl]urea.
What is the SMILES notation for 1-(3-fluorophenyl)-3-[(3S,5S)-1-methyl-5-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-yl]urea?
The canonical SMILES for 1-(3-fluorophenyl)-3-[(3S,5S)-1-methyl-5-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-yl]urea is Cc1noc([C@@H]2C[C@H](NC(=O)Nc3cccc(F)c3)CN2C)n1.
What is the InChIKey of 1-(3-fluorophenyl)-3-[(3S,5S)-1-methyl-5-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-yl]urea?
The InChIKey is HFAVRKDLYBXAFF-STQMWFEESA-N. The full InChI is InChI=1S/C15H18FN5O2/c1-9-17-14(23-20-9)13-7-12(8-21(13)2)19-15(22)18-11-5-3-4-10(16)6-11/h3-6,12-13H,7-8H2,1-2H3,(H2,18,19,22)/t12-,13-/m0/s1.
What are the key properties of 1-(3-fluorophenyl)-3-[(3S,5S)-1-methyl-5-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-yl]urea?
1-(3-fluorophenyl)-3-[(3S,5S)-1-methyl-5-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-yl]urea has a molecular weight of 319.34 g/mol, XLogP of 2.08, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluorophenyl)-3-[(3S,5S)-1-methyl-5-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-yl]urea is sourced from PubChem (CID 25338703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).