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

C18H19FN4O — CID 50809586

IUPAC3-[1-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]pyrrolidin-2-yl]-5-methyl-1,2-oxazole
SMILESCc1cc(C2CCCN2Cc2cn[nH]c2-c2ccc(F)cc2)no1
InChIInChI=1S/C18H19FN4O/c1-12-9-16(22-24-12)17-3-2-8-23(17)11-14-10-20-21-18(14)13-4-6-15(19)7-5-13/h4-7,9-10,17H,2-3,8,11H2,1H3,(H,20,21)
InChIKeyLVQINRSCHQNXAH-UHFFFAOYSA-N
MW326.38 g/mol
LogP3.85
Rot. Bonds4

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

3-[1-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]pyrrolidin-2-yl]-5-methyl-1,2-oxazole (PubChem CID 50809586) has the molecular formula C18H19FN4O and a molecular weight of 326.38 g/mol. Its IUPAC name is 3-[1-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]pyrrolidin-2-yl]-5-methyl-1,2-oxazole.

Molecular Properties

Compound Name3-[1-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]pyrrolidin-2-yl]-5-methyl-1,2-oxazole
PubChem CID50809586
Molecular FormulaC18H19FN4O
Molecular Weight326.38 g/mol
Exact Mass326.15
IUPAC Name3-[1-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]pyrrolidin-2-yl]-5-methyl-1,2-oxazole
SMILESCc1cc(C2CCCN2Cc2cn[nH]c2-c2ccc(F)cc2)no1
InChIInChI=1S/C18H19FN4O/c1-12-9-16(22-24-12)17-3-2-8-23(17)11-14-10-20-21-18(14)13-4-6-15(19)7-5-13/h4-7,9-10,17H,2-3,8,11H2,1H3,(H,20,21)
InChIKeyLVQINRSCHQNXAH-UHFFFAOYSA-N
XLogP3.85
TPSA57.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.38
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-phenyl-5-(1H-pyrazol-3-yl)isoxazole
CID 24764436
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CID 2745568
N-{[3-(2,4-difluorophenyl)-1H-pyrazol-4-yl]methyl}-1-isoxazol-3-yl-N-methylethanamine
CID 16190863
N-[(3-biphenyl-4-yl-1H-pyrazol-4-yl)methyl]-1-isoxazol-3-yl-N-methylethanamine
CID 16191348
(4-benzylpiperidin-1-yl)-[5-(1H-pyrazol-4-yl)-1,2-oxazol-3-yl]methanone
CID 155529193
[4-[(4-fluorophenyl)methyl]piperidin-1-yl]-[5-(1H-pyrazol-4-yl)-1,2-oxazol-3-yl]methanone
CID 155535245
2-(2-fluorophenyl)-1-[3-[4-(3-methyl-1,2-oxazol-5-yl)-1H-pyrazol-5-yl]piperidin-1-yl]ethanone
CID 135719725
N-{[3-(3-fluoro-4-methoxyphenyl)-1H-pyrazol-4-yl]methyl}-1-(3-isoxazolyl)-N-methylethanamine
CID 16187572
1-(3-biphenyl-4-yl-1H-pyrazol-4-yl)-N-(isoxazol-3-ylmethyl)-N-methylmethanamine
CID 16192264
5-(5-methyl-1-(piperidin-4-yl)-1H-pyrazol-4-yl)-3-phenylisoxazole
CID 44580285
N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N-methyl-1-(5-propan-2-yl-1,2-oxazol-3-yl)methanamine
CID 46995086
5-Ethyl-4-(1-{[3-(4-fluorophenyl)-1H-pyrazol-4-YL]methyl}pyrrolidin-2-YL)-3-methyl-1,2-oxazole
CID 50808666

Frequently Asked Questions

What is the IUPAC name of 3-[1-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]pyrrolidin-2-yl]-5-methyl-1,2-oxazole?
The IUPAC name of 3-[1-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]pyrrolidin-2-yl]-5-methyl-1,2-oxazole (CID 50809586) is 3-[1-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]pyrrolidin-2-yl]-5-methyl-1,2-oxazole.
What is the SMILES notation for 3-[1-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]pyrrolidin-2-yl]-5-methyl-1,2-oxazole?
The canonical SMILES for 3-[1-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]pyrrolidin-2-yl]-5-methyl-1,2-oxazole is Cc1cc(C2CCCN2Cc2cn[nH]c2-c2ccc(F)cc2)no1.
What is the InChIKey of 3-[1-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]pyrrolidin-2-yl]-5-methyl-1,2-oxazole?
The InChIKey is LVQINRSCHQNXAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN4O/c1-12-9-16(22-24-12)17-3-2-8-23(17)11-14-10-20-21-18(14)13-4-6-15(19)7-5-13/h4-7,9-10,17H,2-3,8,11H2,1H3,(H,20,21).
What are the key properties of 3-[1-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]pyrrolidin-2-yl]-5-methyl-1,2-oxazole?
3-[1-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]pyrrolidin-2-yl]-5-methyl-1,2-oxazole has a molecular weight of 326.38 g/mol, XLogP of 3.85, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]pyrrolidin-2-yl]-5-methyl-1,2-oxazole is sourced from PubChem (CID 50809586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).