3-[3-[5-fluoro-4-(oxolan-3-yloxy)pyrimidin-2-yl]-1-[(2-fluorophenyl)methyl]pyrazol-5-yl]-1,2-oxazole

C21H17F2N5O3 — CID 118965713

IUPAC3-[3-[5-fluoro-4-(oxolan-3-yloxy)pyrimidin-2-yl]-1-[(2-fluorophenyl)methyl]pyrazol-5-yl]-1,2-oxazole
SMILESFc1ccccc1Cn1nc(-c2ncc(F)c(OC3CCOC3)n2)cc1-c1ccon1
InChIInChI=1S/C21H17F2N5O3/c22-15-4-2-1-3-13(15)11-28-19(17-6-8-30-27-17)9-18(26-28)20-24-10-16(23)21(25-20)31-14-5-7-29-12-14/h1-4,6,8-10,14H,5,7,11-12H2
InChIKeyABZPLXCEAHDBHP-UHFFFAOYSA-N
MW425.40 g/mol
LogP3.49
Rot. Bonds6

About 3-[3-[5-fluoro-4-(oxolan-3-yloxy)pyrimidin-2-yl]-1-[(2-fluorophenyl)methyl]pyrazol-5-yl]-1,2-oxazole

3-[3-[5-fluoro-4-(oxolan-3-yloxy)pyrimidin-2-yl]-1-[(2-fluorophenyl)methyl]pyrazol-5-yl]-1,2-oxazole (PubChem CID 118965713) has the molecular formula C21H17F2N5O3 and a molecular weight of 425.40 g/mol. Its IUPAC name is 3-[3-[5-fluoro-4-(oxolan-3-yloxy)pyrimidin-2-yl]-1-[(2-fluorophenyl)methyl]pyrazol-5-yl]-1,2-oxazole.

Molecular Properties

Compound Name3-[3-[5-fluoro-4-(oxolan-3-yloxy)pyrimidin-2-yl]-1-[(2-fluorophenyl)methyl]pyrazol-5-yl]-1,2-oxazole
PubChem CID118965713
Molecular FormulaC21H17F2N5O3
Molecular Weight425.40 g/mol
Exact Mass425.13
IUPAC Name3-[3-[5-fluoro-4-(oxolan-3-yloxy)pyrimidin-2-yl]-1-[(2-fluorophenyl)methyl]pyrazol-5-yl]-1,2-oxazole
SMILESFc1ccccc1Cn1nc(-c2ncc(F)c(OC3CCOC3)n2)cc1-c1ccon1
InChIInChI=1S/C21H17F2N5O3/c22-15-4-2-1-3-13(15)11-28-19(17-6-8-30-27-17)9-18(26-28)20-24-10-16(23)21(25-20)31-14-5-7-29-12-14/h1-4,6,8-10,14H,5,7,11-12H2
InChIKeyABZPLXCEAHDBHP-UHFFFAOYSA-N
XLogP3.49
TPSA88.09 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.40
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

3-[1-[(2-fluorophenyl)methyl]-3-[5-fluoro-4-(2,2,2-trifluoroethoxy)pyrimidin-2-yl]pyrazol-5-yl]-1,2-oxazole
CID 118965712
5-fluoro-2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]-N-(4-methyloxan-4-yl)pyrimidin-4-amine
CID 90446389
3-[3-[5-fluoro-4-(4-methylpiperidin-1-yl)pyrimidin-2-yl]-1-[(2-fluorophenyl)methyl]pyrazol-5-yl]-1,2-oxazole
CID 123325967
(3R)-4-[5-fluoro-2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-4-yl]morpholine-3-carboxylic acid
CID 90445814
ethyl 1-[[5-fluoro-2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-4-yl]oxymethyl]cyclopropane-1-carboxylate
CID 118965743
1-[5-fluoro-2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-4-yl]-3-hydroxypyrrolidin-2-one
CID 86267521
N-[5-fluoro-2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-4-yl]cyclopropanesulfonamide
CID 86267524
1-[5-fluoro-2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-4-yl]piperidine-3,4-diol
CID 123364104
3-[3-[5-fluoro-4-(3-fluoropiperidin-1-yl)pyrimidin-2-yl]-1-[(2-fluorophenyl)methyl]pyrazol-5-yl]-1,2-oxazole
CID 90446386
3-[1-[(2-fluorophenyl)methyl]-3-(5-fluoro-4-pyrazol-1-ylpyrimidin-2-yl)pyrazol-5-yl]-1,2-oxazole
CID 90446402
(2S)-2-[[5-fluoro-2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-4-yl]amino]cyclopentan-1-one
CID 161350978
3-[3-[5-fluoro-4-(4-methylsulfonylpiperidin-1-yl)pyrimidin-2-yl]-1-[(2-fluorophenyl)methyl]pyrazol-5-yl]-1,2-oxazole
CID 90446134

Frequently Asked Questions

What is the IUPAC name of 3-[3-[5-fluoro-4-(oxolan-3-yloxy)pyrimidin-2-yl]-1-[(2-fluorophenyl)methyl]pyrazol-5-yl]-1,2-oxazole?
The IUPAC name of 3-[3-[5-fluoro-4-(oxolan-3-yloxy)pyrimidin-2-yl]-1-[(2-fluorophenyl)methyl]pyrazol-5-yl]-1,2-oxazole (CID 118965713) is 3-[3-[5-fluoro-4-(oxolan-3-yloxy)pyrimidin-2-yl]-1-[(2-fluorophenyl)methyl]pyrazol-5-yl]-1,2-oxazole.
What is the SMILES notation for 3-[3-[5-fluoro-4-(oxolan-3-yloxy)pyrimidin-2-yl]-1-[(2-fluorophenyl)methyl]pyrazol-5-yl]-1,2-oxazole?
The canonical SMILES for 3-[3-[5-fluoro-4-(oxolan-3-yloxy)pyrimidin-2-yl]-1-[(2-fluorophenyl)methyl]pyrazol-5-yl]-1,2-oxazole is Fc1ccccc1Cn1nc(-c2ncc(F)c(OC3CCOC3)n2)cc1-c1ccon1.
What is the InChIKey of 3-[3-[5-fluoro-4-(oxolan-3-yloxy)pyrimidin-2-yl]-1-[(2-fluorophenyl)methyl]pyrazol-5-yl]-1,2-oxazole?
The InChIKey is ABZPLXCEAHDBHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17F2N5O3/c22-15-4-2-1-3-13(15)11-28-19(17-6-8-30-27-17)9-18(26-28)20-24-10-16(23)21(25-20)31-14-5-7-29-12-14/h1-4,6,8-10,14H,5,7,11-12H2.
What are the key properties of 3-[3-[5-fluoro-4-(oxolan-3-yloxy)pyrimidin-2-yl]-1-[(2-fluorophenyl)methyl]pyrazol-5-yl]-1,2-oxazole?
3-[3-[5-fluoro-4-(oxolan-3-yloxy)pyrimidin-2-yl]-1-[(2-fluorophenyl)methyl]pyrazol-5-yl]-1,2-oxazole has a molecular weight of 425.40 g/mol, XLogP of 3.49, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[5-fluoro-4-(oxolan-3-yloxy)pyrimidin-2-yl]-1-[(2-fluorophenyl)methyl]pyrazol-5-yl]-1,2-oxazole is sourced from PubChem (CID 118965713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).