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

C19H21FN4O — CID 95349673

IUPAC5-(4-fluorophenyl)-2-[[(2S)-2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methyl]-1,3-oxazole
SMILESCc1cnn(C[C@@H]2CCCN2Cc2ncc(-c3ccc(F)cc3)o2)c1
InChIInChI=1S/C19H21FN4O/c1-14-9-22-24(11-14)12-17-3-2-8-23(17)13-19-21-10-18(25-19)15-4-6-16(20)7-5-15/h4-7,9-11,17H,2-3,8,12-13H2,1H3/t17-/m0/s1
InChIKeyPQULVTUUGPQOAT-KRWDZBQOSA-N
MW340.40 g/mol
LogP3.65
Rot. Bonds5

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

5-(4-fluorophenyl)-2-[[(2S)-2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methyl]-1,3-oxazole (PubChem CID 95349673) has the molecular formula C19H21FN4O and a molecular weight of 340.40 g/mol. Its IUPAC name is 5-(4-fluorophenyl)-2-[[(2S)-2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methyl]-1,3-oxazole.

Molecular Properties

Compound Name5-(4-fluorophenyl)-2-[[(2S)-2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methyl]-1,3-oxazole
PubChem CID95349673
Molecular FormulaC19H21FN4O
Molecular Weight340.40 g/mol
Exact Mass340.17
IUPAC Name5-(4-fluorophenyl)-2-[[(2S)-2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methyl]-1,3-oxazole
SMILESCc1cnn(C[C@@H]2CCCN2Cc2ncc(-c3ccc(F)cc3)o2)c1
InChIInChI=1S/C19H21FN4O/c1-14-9-22-24(11-14)12-17-3-2-8-23(17)13-19-21-10-18(25-19)15-4-6-16(20)7-5-15/h4-7,9-11,17H,2-3,8,12-13H2,1H3/t17-/m0/s1
InChIKeyPQULVTUUGPQOAT-KRWDZBQOSA-N
XLogP3.65
TPSA47.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.40
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-(4-fluorophenyl)-2-[[(2S)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methyl]-1,3-oxazole
CID 95569830
3-(2-methoxyethyl)-5-[[(2R)-2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methyl]-1,2,4-oxadiazole
CID 95609671
3-[[(2R)-2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methyl]-5-phenyl-1,2,4-oxadiazole
CID 95345376
3-(furan-3-yl)-5-[[2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]methyl]-1,2,4-oxadiazole
CID 56780380
2-methyl-3-[[(2S)-2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methyl]quinoxaline
CID 95611660
5-(2-methylpropyl)-3-[[(2S)-2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methyl]-1,2,4-oxadiazole
CID 95609560
5-[[(2S)-2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]methyl]-3-pyridin-3-yl-1,2,4-oxadiazole
CID 95352806
2-[[2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]methyl]-5-(4-fluorophenyl)-1,3-oxazole
CID 43013095
2-(1-methylpyrazol-4-yl)-4-[[2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methyl]-1,3-thiazole
CID 56780516
3-[1-[(5-phenyl-1,3-oxazol-2-yl)methyl]pyrrolidin-2-yl]propan-1-ol
CID 62467616
4-[[(2S)-2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methyl]-1-phenyltriazole
CID 95609652
1-benzyl-2-[[(2R)-2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methyl]imidazole
CID 95609576

Frequently Asked Questions

What is the IUPAC name of 5-(4-fluorophenyl)-2-[[(2S)-2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methyl]-1,3-oxazole?
The IUPAC name of 5-(4-fluorophenyl)-2-[[(2S)-2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methyl]-1,3-oxazole (CID 95349673) is 5-(4-fluorophenyl)-2-[[(2S)-2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methyl]-1,3-oxazole.
What is the SMILES notation for 5-(4-fluorophenyl)-2-[[(2S)-2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methyl]-1,3-oxazole?
The canonical SMILES for 5-(4-fluorophenyl)-2-[[(2S)-2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methyl]-1,3-oxazole is Cc1cnn(C[C@@H]2CCCN2Cc2ncc(-c3ccc(F)cc3)o2)c1.
What is the InChIKey of 5-(4-fluorophenyl)-2-[[(2S)-2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methyl]-1,3-oxazole?
The InChIKey is PQULVTUUGPQOAT-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H21FN4O/c1-14-9-22-24(11-14)12-17-3-2-8-23(17)13-19-21-10-18(25-19)15-4-6-16(20)7-5-15/h4-7,9-11,17H,2-3,8,12-13H2,1H3/t17-/m0/s1.
What are the key properties of 5-(4-fluorophenyl)-2-[[(2S)-2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methyl]-1,3-oxazole?
5-(4-fluorophenyl)-2-[[(2S)-2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methyl]-1,3-oxazole has a molecular weight of 340.40 g/mol, XLogP of 3.65, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorophenyl)-2-[[(2S)-2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methyl]-1,3-oxazole is sourced from PubChem (CID 95349673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).