1-(5-fluoro-2-pyridinyl)-3-[(2S,4R)-2-(3-methylimidazol-4-yl)oxan-4-yl]urea

C15H18FN5O2 — CID 129477022

IUPAC1-(5-fluoro-2-pyridinyl)-3-[(2S,4R)-2-(3-methylimidazol-4-yl)oxan-4-yl]urea
SMILESCn1cncc1[C@@H]1C[C@H](NC(=O)Nc2ccc(F)cn2)CCO1
InChIInChI=1S/C15H18FN5O2/c1-21-9-17-8-12(21)13-6-11(4-5-23-13)19-15(22)20-14-3-2-10(16)7-18-14/h2-3,7-9,11,13H,4-6H2,1H3,(H2,18,19,20,22)/t11-,13+/m1/s1
InChIKeyJGKMFRWKKJUGFZ-YPMHNXCESA-N
MW319.34 g/mol
LogP2.00
Rot. Bonds3

About 1-(5-fluoro-2-pyridinyl)-3-[(2S,4R)-2-(3-methylimidazol-4-yl)oxan-4-yl]urea

1-(5-fluoro-2-pyridinyl)-3-[(2S,4R)-2-(3-methylimidazol-4-yl)oxan-4-yl]urea (PubChem CID 129477022) has the molecular formula C15H18FN5O2 and a molecular weight of 319.34 g/mol. Its IUPAC name is 1-(5-fluoro-2-pyridinyl)-3-[(2S,4R)-2-(3-methylimidazol-4-yl)oxan-4-yl]urea.

Molecular Properties

Compound Name1-(5-fluoro-2-pyridinyl)-3-[(2S,4R)-2-(3-methylimidazol-4-yl)oxan-4-yl]urea
PubChem CID129477022
Molecular FormulaC15H18FN5O2
Molecular Weight319.34 g/mol
Exact Mass319.14
IUPAC Name1-(5-fluoro-2-pyridinyl)-3-[(2S,4R)-2-(3-methylimidazol-4-yl)oxan-4-yl]urea
SMILESCn1cncc1[C@@H]1C[C@H](NC(=O)Nc2ccc(F)cn2)CCO1
InChIInChI=1S/C15H18FN5O2/c1-21-9-17-8-12(21)13-6-11(4-5-23-13)19-15(22)20-14-3-2-10(16)7-18-14/h2-3,7-9,11,13H,4-6H2,1H3,(H2,18,19,20,22)/t11-,13+/m1/s1
InChIKeyJGKMFRWKKJUGFZ-YPMHNXCESA-N
XLogP2.00
TPSA81.07 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 ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-(5-fluoro-2-pyridinyl)-3-[(2S,4R)-2-(3-methylimidazol-4-yl)oxan-4-yl]urea with MolForge

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Related Compounds

1-(5-fluoro-2-pyridinyl)-3-[(2R,4R)-2-(3-methylimidazol-4-yl)oxan-4-yl]urea
CID 129477020
1-[(2S,4S)-2-(3-methylimidazol-4-yl)oxan-4-yl]-3-(5-methyl-2-pyridinyl)urea
CID 129476958
1-(5-fluoro-2-pyridinyl)-3-[(2S,4S)-2-phenyloxan-4-yl]urea
CID 99601199
1-[(2-fluorophenyl)methyl]-3-[(2S,4R)-2-(3-methylimidazol-4-yl)oxan-4-yl]urea
CID 129472375
1-[(2R,4R)-2-(3-methylimidazol-4-yl)oxan-4-yl]-3-(thiophen-3-ylmethyl)urea
CID 129472543
2-fluoro-4-methoxy-N-[(2S,4S)-2-(3-methylimidazol-4-yl)oxan-4-yl]benzamide
CID 129492339
3-ethyl-N-[(2S,4S)-2-(3-methylimidazol-4-yl)oxan-4-yl]pyridine-4-carboxamide
CID 129339443
N-[(2S,4R)-2-(3-methylimidazol-4-yl)oxan-4-yl]quinoxaline-5-carboxamide
CID 129340184
4-methyl-N-[2-(3-methylimidazol-4-yl)oxan-4-yl]thiophene-3-carboxamide
CID 128966423
2-ethoxy-N-[(2S,4S)-2-(3-methylimidazol-4-yl)oxan-4-yl]pyridine-3-carboxamide
CID 129337436
5-chloro-N-[2-(3-methylimidazol-4-yl)oxan-4-yl]thiophene-2-carboxamide
CID 128992160
(2R)-2-methoxy-N-[2-(3-methylimidazol-4-yl)oxan-4-yl]-2-phenylacetamide
CID 128994960

Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoro-2-pyridinyl)-3-[(2S,4R)-2-(3-methylimidazol-4-yl)oxan-4-yl]urea?
The IUPAC name of 1-(5-fluoro-2-pyridinyl)-3-[(2S,4R)-2-(3-methylimidazol-4-yl)oxan-4-yl]urea (CID 129477022) is 1-(5-fluoro-2-pyridinyl)-3-[(2S,4R)-2-(3-methylimidazol-4-yl)oxan-4-yl]urea.
What is the SMILES notation for 1-(5-fluoro-2-pyridinyl)-3-[(2S,4R)-2-(3-methylimidazol-4-yl)oxan-4-yl]urea?
The canonical SMILES for 1-(5-fluoro-2-pyridinyl)-3-[(2S,4R)-2-(3-methylimidazol-4-yl)oxan-4-yl]urea is Cn1cncc1[C@@H]1C[C@H](NC(=O)Nc2ccc(F)cn2)CCO1.
What is the InChIKey of 1-(5-fluoro-2-pyridinyl)-3-[(2S,4R)-2-(3-methylimidazol-4-yl)oxan-4-yl]urea?
The InChIKey is JGKMFRWKKJUGFZ-YPMHNXCESA-N. The full InChI is InChI=1S/C15H18FN5O2/c1-21-9-17-8-12(21)13-6-11(4-5-23-13)19-15(22)20-14-3-2-10(16)7-18-14/h2-3,7-9,11,13H,4-6H2,1H3,(H2,18,19,20,22)/t11-,13+/m1/s1.
What are the key properties of 1-(5-fluoro-2-pyridinyl)-3-[(2S,4R)-2-(3-methylimidazol-4-yl)oxan-4-yl]urea?
1-(5-fluoro-2-pyridinyl)-3-[(2S,4R)-2-(3-methylimidazol-4-yl)oxan-4-yl]urea has a molecular weight of 319.34 g/mol, XLogP of 2.00, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-fluoro-2-pyridinyl)-3-[(2S,4R)-2-(3-methylimidazol-4-yl)oxan-4-yl]urea is sourced from PubChem (CID 129477022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).