[(3S)-3-[4-(2-fluorophenoxy)-6-methylpyrimidin-2-yl]pyrrolidin-1-yl]-(2-methyl-1,3-oxazol-4-yl)methanone

C20H19FN4O3 — CID 95844319

IUPAC[(3S)-3-[4-(2-fluorophenoxy)-6-methylpyrimidin-2-yl]pyrrolidin-1-yl]-(2-methyl-1,3-oxazol-4-yl)methanone
SMILESCc1cc(Oc2ccccc2F)nc([C@H]2CCN(C(=O)c3coc(C)n3)C2)n1
InChIInChI=1S/C20H19FN4O3/c1-12-9-18(28-17-6-4-3-5-15(17)21)24-19(22-12)14-7-8-25(10-14)20(26)16-11-27-13(2)23-16/h3-6,9,11,14H,7-8,10H2,1-2H3/t14-/m0/s1
InChIKeyXAQRADNNQRZIJX-AWEZNQCLSA-N
MW382.40 g/mol
LogP3.64
Rot. Bonds4

About [(3S)-3-[4-(2-fluorophenoxy)-6-methylpyrimidin-2-yl]pyrrolidin-1-yl]-(2-methyl-1,3-oxazol-4-yl)methanone

[(3S)-3-[4-(2-fluorophenoxy)-6-methylpyrimidin-2-yl]pyrrolidin-1-yl]-(2-methyl-1,3-oxazol-4-yl)methanone (PubChem CID 95844319) has the molecular formula C20H19FN4O3 and a molecular weight of 382.40 g/mol. Its IUPAC name is [(3S)-3-[4-(2-fluorophenoxy)-6-methylpyrimidin-2-yl]pyrrolidin-1-yl]-(2-methyl-1,3-oxazol-4-yl)methanone.

Molecular Properties

Compound Name[(3S)-3-[4-(2-fluorophenoxy)-6-methylpyrimidin-2-yl]pyrrolidin-1-yl]-(2-methyl-1,3-oxazol-4-yl)methanone
PubChem CID95844319
Molecular FormulaC20H19FN4O3
Molecular Weight382.40 g/mol
Exact Mass382.14
IUPAC Name[(3S)-3-[4-(2-fluorophenoxy)-6-methylpyrimidin-2-yl]pyrrolidin-1-yl]-(2-methyl-1,3-oxazol-4-yl)methanone
SMILESCc1cc(Oc2ccccc2F)nc([C@H]2CCN(C(=O)c3coc(C)n3)C2)n1
InChIInChI=1S/C20H19FN4O3/c1-12-9-18(28-17-6-4-3-5-15(17)21)24-19(22-12)14-7-8-25(10-14)20(26)16-11-27-13(2)23-16/h3-6,9,11,14H,7-8,10H2,1-2H3/t14-/m0/s1
InChIKeyXAQRADNNQRZIJX-AWEZNQCLSA-N
XLogP3.64
TPSA81.35 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.40
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-[(3S)-3-[4-(2-fluorophenoxy)-6-methylpyrimidin-2-yl]pyrrolidin-1-yl]propan-1-one
CID 95843653
1-[3-[4-(2-fluorophenoxy)-6-methylpyrimidin-2-yl]pyrrolidin-1-yl]propan-1-one
CID 110270129
2-(dimethylamino)-1-[(3R)-3-[4-(2-fluorophenoxy)-6-methylpyrimidin-2-yl]pyrrolidin-1-yl]ethanone
CID 95844083
(6-amino-3-pyridinyl)-[3-[4-(2-fluorophenoxy)-6-methylpyrimidin-2-yl]pyrrolidin-1-yl]methanone
CID 110270372
cyclopropyl-[(3R)-3-[4-(2-fluorophenoxy)-6-methylpyrimidin-2-yl]piperidin-1-yl]methanone
CID 95822243
[(3R)-3-[4-(2-fluorophenoxy)-6-methylpyrimidin-2-yl]piperidin-1-yl]-[3-(1,2,4-triazol-4-yl)phenyl]methanone
CID 124988915
2-[2-[4-(2-fluorophenoxy)-6-methylpyrimidin-2-yl]pyrrolidin-1-yl]-4,6-dimethoxy-1,3,5-triazine
CID 175657255
2-[2-[4-(2-fluorophenoxy)-6-methylpyrimidin-2-yl]piperidin-1-yl]acetic acid
CID 110258410
4-(2-fluorophenoxy)-6-methyl-2-[(3S)-1-[(1-methylimidazol-2-yl)methyl]pyrrolidin-3-yl]pyrimidine
CID 95844012
1-[2-[4-(2-fluorophenoxy)-6-methylpyrimidin-2-yl]piperidin-1-yl]-2-methoxyethanone
CID 110270143
4-(2-fluorophenoxy)-6-methyl-2-piperidin-4-ylpyrimidine
CID 175662265
N-[2-[3-[4-methyl-6-(2-methylphenoxy)pyrimidin-2-yl]piperidin-1-yl]-2-oxoethyl]acetamide
CID 110256556

Frequently Asked Questions

What is the IUPAC name of [(3S)-3-[4-(2-fluorophenoxy)-6-methylpyrimidin-2-yl]pyrrolidin-1-yl]-(2-methyl-1,3-oxazol-4-yl)methanone?
The IUPAC name of [(3S)-3-[4-(2-fluorophenoxy)-6-methylpyrimidin-2-yl]pyrrolidin-1-yl]-(2-methyl-1,3-oxazol-4-yl)methanone (CID 95844319) is [(3S)-3-[4-(2-fluorophenoxy)-6-methylpyrimidin-2-yl]pyrrolidin-1-yl]-(2-methyl-1,3-oxazol-4-yl)methanone.
What is the SMILES notation for [(3S)-3-[4-(2-fluorophenoxy)-6-methylpyrimidin-2-yl]pyrrolidin-1-yl]-(2-methyl-1,3-oxazol-4-yl)methanone?
The canonical SMILES for [(3S)-3-[4-(2-fluorophenoxy)-6-methylpyrimidin-2-yl]pyrrolidin-1-yl]-(2-methyl-1,3-oxazol-4-yl)methanone is Cc1cc(Oc2ccccc2F)nc([C@H]2CCN(C(=O)c3coc(C)n3)C2)n1.
What is the InChIKey of [(3S)-3-[4-(2-fluorophenoxy)-6-methylpyrimidin-2-yl]pyrrolidin-1-yl]-(2-methyl-1,3-oxazol-4-yl)methanone?
The InChIKey is XAQRADNNQRZIJX-AWEZNQCLSA-N. The full InChI is InChI=1S/C20H19FN4O3/c1-12-9-18(28-17-6-4-3-5-15(17)21)24-19(22-12)14-7-8-25(10-14)20(26)16-11-27-13(2)23-16/h3-6,9,11,14H,7-8,10H2,1-2H3/t14-/m0/s1.
What are the key properties of [(3S)-3-[4-(2-fluorophenoxy)-6-methylpyrimidin-2-yl]pyrrolidin-1-yl]-(2-methyl-1,3-oxazol-4-yl)methanone?
[(3S)-3-[4-(2-fluorophenoxy)-6-methylpyrimidin-2-yl]pyrrolidin-1-yl]-(2-methyl-1,3-oxazol-4-yl)methanone has a molecular weight of 382.40 g/mol, XLogP of 3.64, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-3-[4-(2-fluorophenoxy)-6-methylpyrimidin-2-yl]pyrrolidin-1-yl]-(2-methyl-1,3-oxazol-4-yl)methanone is sourced from PubChem (CID 95844319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).