1-[(2-fluorophenyl)methyl]-3-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]urea

C16H19FN4O2 — CID 128968627

IUPAC1-[(2-fluorophenyl)methyl]-3-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]urea
SMILESCn1cc([C@H]2OCC[C@@H]2NC(=O)NCc2ccccc2F)cn1
InChIInChI=1S/C16H19FN4O2/c1-21-10-12(9-19-21)15-14(6-7-23-15)20-16(22)18-8-11-4-2-3-5-13(11)17/h2-5,9-10,14-15H,6-8H2,1H3,(H2,18,20,22)/t14-,15+/m0/s1
InChIKeyRHKHLOGOGPDNOS-LSDHHAIUSA-N
MW318.35 g/mol
LogP1.89
Rot. Bonds4

About 1-[(2-fluorophenyl)methyl]-3-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]urea

1-[(2-fluorophenyl)methyl]-3-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]urea (PubChem CID 128968627) has the molecular formula C16H19FN4O2 and a molecular weight of 318.35 g/mol. Its IUPAC name is 1-[(2-fluorophenyl)methyl]-3-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]urea.

Molecular Properties

Compound Name1-[(2-fluorophenyl)methyl]-3-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]urea
PubChem CID128968627
Molecular FormulaC16H19FN4O2
Molecular Weight318.35 g/mol
Exact Mass318.15
IUPAC Name1-[(2-fluorophenyl)methyl]-3-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]urea
SMILESCn1cc([C@H]2OCC[C@@H]2NC(=O)NCc2ccccc2F)cn1
InChIInChI=1S/C16H19FN4O2/c1-21-10-12(9-19-21)15-14(6-7-23-15)20-16(22)18-8-11-4-2-3-5-13(11)17/h2-5,9-10,14-15H,6-8H2,1H3,(H2,18,20,22)/t14-,15+/m0/s1
InChIKeyRHKHLOGOGPDNOS-LSDHHAIUSA-N
XLogP1.89
TPSA68.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.35
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]-3-[(6-methyl-2-pyridinyl)methyl]urea
CID 128975029
1-[(2S,3S)-2-(4-chlorophenyl)oxolan-3-yl]-3-[(1-methylpyrazol-4-yl)methyl]urea
CID 97128571
2-[2-(difluoromethoxy)phenyl]-N-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]acetamide
CID 126784719
(2S,3S)-N-[(2-fluorophenyl)methyl]-N-methyl-2-(1-methylpyrazol-4-yl)oxolane-3-carboxamide
CID 129005523
(2S)-N-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]-2-phenylpropanamide
CID 129006215
1-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxan-3-yl]-3-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)urea
CID 154800221
1-[(2-fluorophenyl)methyl]-3-[(2S,4R)-2-(3-methylimidazol-4-yl)oxan-4-yl]urea
CID 129472375
1-[(1R)-1-(2,6-dimethylphenyl)ethyl]-3-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]urea
CID 100630575
trans-(1R,2R)-2-cyclopropyl-N-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]cyclopropane-1-carboxamide
CID 129400376
N-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]-1-benzofuran-2-carboxamide
CID 129006244
1-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxan-3-yl]-3-(1,2-oxazol-3-yl)urea
CID 128968666
2-[(2-fluorophenyl)methylcarbamoylamino]cyclopentane-1-carboxylic acid
CID 64818051

Frequently Asked Questions

What is the IUPAC name of 1-[(2-fluorophenyl)methyl]-3-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]urea?
The IUPAC name of 1-[(2-fluorophenyl)methyl]-3-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]urea (CID 128968627) is 1-[(2-fluorophenyl)methyl]-3-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]urea.
What is the SMILES notation for 1-[(2-fluorophenyl)methyl]-3-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]urea?
The canonical SMILES for 1-[(2-fluorophenyl)methyl]-3-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]urea is Cn1cc([C@H]2OCC[C@@H]2NC(=O)NCc2ccccc2F)cn1.
What is the InChIKey of 1-[(2-fluorophenyl)methyl]-3-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]urea?
The InChIKey is RHKHLOGOGPDNOS-LSDHHAIUSA-N. The full InChI is InChI=1S/C16H19FN4O2/c1-21-10-12(9-19-21)15-14(6-7-23-15)20-16(22)18-8-11-4-2-3-5-13(11)17/h2-5,9-10,14-15H,6-8H2,1H3,(H2,18,20,22)/t14-,15+/m0/s1.
What are the key properties of 1-[(2-fluorophenyl)methyl]-3-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]urea?
1-[(2-fluorophenyl)methyl]-3-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]urea has a molecular weight of 318.35 g/mol, XLogP of 1.89, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-fluorophenyl)methyl]-3-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]urea is sourced from PubChem (CID 128968627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).