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

C17H18FN3O2 — CID 99601199

IUPAC1-(5-fluoro-2-pyridinyl)-3-[(2S,4S)-2-phenyloxan-4-yl]urea
SMILESO=C(Nc1ccc(F)cn1)N[C@H]1CCO[C@H](c2ccccc2)C1
InChIInChI=1S/C17H18FN3O2/c18-13-6-7-16(19-11-13)21-17(22)20-14-8-9-23-15(10-14)12-4-2-1-3-5-12/h1-7,11,14-15H,8-10H2,(H2,19,20,21,22)/t14-,15-/m0/s1
InChIKeyNJNMXWAMFGRFAK-GJZGRUSLSA-N
MW315.35 g/mol
LogP3.26
Rot. Bonds3

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

1-(5-fluoro-2-pyridinyl)-3-[(2S,4S)-2-phenyloxan-4-yl]urea (PubChem CID 99601199) has the molecular formula C17H18FN3O2 and a molecular weight of 315.35 g/mol. Its IUPAC name is 1-(5-fluoro-2-pyridinyl)-3-[(2S,4S)-2-phenyloxan-4-yl]urea.

Molecular Properties

Compound Name1-(5-fluoro-2-pyridinyl)-3-[(2S,4S)-2-phenyloxan-4-yl]urea
PubChem CID99601199
Molecular FormulaC17H18FN3O2
Molecular Weight315.35 g/mol
Exact Mass315.14
IUPAC Name1-(5-fluoro-2-pyridinyl)-3-[(2S,4S)-2-phenyloxan-4-yl]urea
SMILESO=C(Nc1ccc(F)cn1)N[C@H]1CCO[C@H](c2ccccc2)C1
InChIInChI=1S/C17H18FN3O2/c18-13-6-7-16(19-11-13)21-17(22)20-14-8-9-23-15(10-14)12-4-2-1-3-5-12/h1-7,11,14-15H,8-10H2,(H2,19,20,21,22)/t14-,15-/m0/s1
InChIKeyNJNMXWAMFGRFAK-GJZGRUSLSA-N
XLogP3.26
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.35
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-fluoro-2-pyridinyl)-3-[(2S,4R)-2-(3-methylimidazol-4-yl)oxan-4-yl]urea
CID 129477022
1-(5-fluoro-2-pyridinyl)-3-[(2R,4R)-2-(3-methylimidazol-4-yl)oxan-4-yl]urea
CID 129477020
1-(4-acetylphenyl)-3-(2-phenyloxan-4-yl)urea
CID 75523226
1-(5-fluoro-2-pyridinyl)-3-[(1S,3S)-3-(trifluoromethyl)cyclohexyl]urea
CID 99601286
1-[(1-methylpyrazol-4-yl)methyl]-3-(2-phenyloxan-4-yl)urea
CID 86793272
1-[(4-methyl-1,3-thiazol-5-yl)methyl]-3-[(2R,4S)-2-phenyloxan-4-yl]urea
CID 97308509
1-[(2S,4R)-2-phenyloxan-4-yl]-3-[(1S,2R,4S,5S)-3-tricyclo[3.2.1.02,4]octanyl]urea
CID 129429595
4-[[2-(4-fluorophenyl)oxan-4-yl]carbamoylamino]cyclohexane-1-carboxylic acid
CID 122009820
5-fluoro-N-[(2S,3R)-2-phenyloxolan-3-yl]pyridin-2-amine
CID 124734601
4-[[(2-phenyloxan-4-yl)carbamoylamino]methyl]benzoic acid
CID 122010133
1-(1,3-dihydro-2-benzofuran-5-yl)-3-(2-phenyloxan-4-yl)urea
CID 75478295
1-[(2S,4S)-2-(3-methylimidazol-4-yl)oxan-4-yl]-3-(5-methyl-2-pyridinyl)urea
CID 129476958

Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoro-2-pyridinyl)-3-[(2S,4S)-2-phenyloxan-4-yl]urea?
The IUPAC name of 1-(5-fluoro-2-pyridinyl)-3-[(2S,4S)-2-phenyloxan-4-yl]urea (CID 99601199) is 1-(5-fluoro-2-pyridinyl)-3-[(2S,4S)-2-phenyloxan-4-yl]urea.
What is the SMILES notation for 1-(5-fluoro-2-pyridinyl)-3-[(2S,4S)-2-phenyloxan-4-yl]urea?
The canonical SMILES for 1-(5-fluoro-2-pyridinyl)-3-[(2S,4S)-2-phenyloxan-4-yl]urea is O=C(Nc1ccc(F)cn1)N[C@H]1CCO[C@H](c2ccccc2)C1.
What is the InChIKey of 1-(5-fluoro-2-pyridinyl)-3-[(2S,4S)-2-phenyloxan-4-yl]urea?
The InChIKey is NJNMXWAMFGRFAK-GJZGRUSLSA-N. The full InChI is InChI=1S/C17H18FN3O2/c18-13-6-7-16(19-11-13)21-17(22)20-14-8-9-23-15(10-14)12-4-2-1-3-5-12/h1-7,11,14-15H,8-10H2,(H2,19,20,21,22)/t14-,15-/m0/s1.
What are the key properties of 1-(5-fluoro-2-pyridinyl)-3-[(2S,4S)-2-phenyloxan-4-yl]urea?
1-(5-fluoro-2-pyridinyl)-3-[(2S,4S)-2-phenyloxan-4-yl]urea has a molecular weight of 315.35 g/mol, XLogP of 3.26, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-fluoro-2-pyridinyl)-3-[(2S,4S)-2-phenyloxan-4-yl]urea is sourced from PubChem (CID 99601199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).