(5-cyclopropyl-1,2-oxazol-3-yl)-[(3S)-3-(6-ethyl-5-fluoropyrimidin-4-yl)oxypyrrolidin-1-yl]methanone

C17H19FN4O3 — CID 124759510

IUPAC(5-cyclopropyl-1,2-oxazol-3-yl)-[(3S)-3-(6-ethyl-5-fluoropyrimidin-4-yl)oxypyrrolidin-1-yl]methanone
SMILESCCc1ncnc(O[C@H]2CCN(C(=O)c3cc(C4CC4)on3)C2)c1F
InChIInChI=1S/C17H19FN4O3/c1-2-12-15(18)16(20-9-19-12)24-11-5-6-22(8-11)17(23)13-7-14(25-21-13)10-3-4-10/h7,9-11H,2-6,8H2,1H3/t11-/m0/s1
InChIKeyGBTNXJHAYQEPKG-NSHDSACASA-N
MW346.36 g/mol
LogP2.34
Rot. Bonds5

About (5-cyclopropyl-1,2-oxazol-3-yl)-[(3S)-3-(6-ethyl-5-fluoropyrimidin-4-yl)oxypyrrolidin-1-yl]methanone

(5-cyclopropyl-1,2-oxazol-3-yl)-[(3S)-3-(6-ethyl-5-fluoropyrimidin-4-yl)oxypyrrolidin-1-yl]methanone (PubChem CID 124759510) has the molecular formula C17H19FN4O3 and a molecular weight of 346.36 g/mol. Its IUPAC name is (5-cyclopropyl-1,2-oxazol-3-yl)-[(3S)-3-(6-ethyl-5-fluoropyrimidin-4-yl)oxypyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(5-cyclopropyl-1,2-oxazol-3-yl)-[(3S)-3-(6-ethyl-5-fluoropyrimidin-4-yl)oxypyrrolidin-1-yl]methanone
PubChem CID124759510
Molecular FormulaC17H19FN4O3
Molecular Weight346.36 g/mol
Exact Mass346.14
IUPAC Name(5-cyclopropyl-1,2-oxazol-3-yl)-[(3S)-3-(6-ethyl-5-fluoropyrimidin-4-yl)oxypyrrolidin-1-yl]methanone
SMILESCCc1ncnc(O[C@H]2CCN(C(=O)c3cc(C4CC4)on3)C2)c1F
InChIInChI=1S/C17H19FN4O3/c1-2-12-15(18)16(20-9-19-12)24-11-5-6-22(8-11)17(23)13-7-14(25-21-13)10-3-4-10/h7,9-11H,2-6,8H2,1H3/t11-/m0/s1
InChIKeyGBTNXJHAYQEPKG-NSHDSACASA-N
XLogP2.34
TPSA81.35 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.36
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[1-(cyclopropylmethoxymethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]-(5-methyl-1,2-oxazol-3-yl)methanone
CID 97520254
5-cyclopropyl-N-(6-methoxypyrimidin-4-yl)isoxazole-3-carboxamide
CID 71795751
(3-((6-Ethyl-5-fluoropyrimidin-4-yl)oxy)pyrrolidin-1-yl)(isoxazol-5-yl)methanone
CID 119100433
(5-Cyclopropylisoxazol-3-yl)(3-((6-ethyl-5-fluoropyrimidin-4-yl)oxy)pyrrolidin-1-yl)methanone
CID 119100471
(3-((6-Ethyl-5-fluoropyrimidin-4-yl)oxy)pyrrolidin-1-yl)(4,5,6,7-tetrahydrobenzo[d]isoxazol-3-yl)methanone
CID 119100479
(3-((5-Fluoropyrimidin-2-yl)oxy)pyrrolidin-1-yl)(5-methylisoxazol-3-yl)methanone
CID 121017637
(3-((6-Ethyl-5-fluoropyrimidin-4-yl)oxy)pyrrolidin-1-yl)(5-phenylisoxazol-3-yl)methanone
CID 121017700
2-(3,5-Dimethylisoxazol-4-yl)-1-(3-((6-ethyl-5-fluoropyrimidin-4-yl)oxy)pyrrolidin-1-yl)ethanone
CID 121017711
(5-Cyclopropylisoxazol-3-yl)(3-((5-fluoropyrimidin-2-yl)oxy)piperidin-1-yl)methanone
CID 122160237
(5-Cyclopropylisoxazol-3-yl)(3-((4-(trifluoromethyl)pyrimidin-2-yl)oxy)piperidin-1-yl)methanone
CID 122267575
(5-cyclopropyl-1,2-oxazol-3-yl)-[(3R)-3-(6-ethyl-5-fluoropyrimidin-4-yl)oxypyrrolidin-1-yl]methanone
CID 124759509
2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(3R)-3-(6-ethyl-5-fluoropyrimidin-4-yl)oxypyrrolidin-1-yl]ethanone
CID 124759680

Frequently Asked Questions

What is the IUPAC name of (5-cyclopropyl-1,2-oxazol-3-yl)-[(3S)-3-(6-ethyl-5-fluoropyrimidin-4-yl)oxypyrrolidin-1-yl]methanone?
The IUPAC name of (5-cyclopropyl-1,2-oxazol-3-yl)-[(3S)-3-(6-ethyl-5-fluoropyrimidin-4-yl)oxypyrrolidin-1-yl]methanone (CID 124759510) is (5-cyclopropyl-1,2-oxazol-3-yl)-[(3S)-3-(6-ethyl-5-fluoropyrimidin-4-yl)oxypyrrolidin-1-yl]methanone.
What is the SMILES notation for (5-cyclopropyl-1,2-oxazol-3-yl)-[(3S)-3-(6-ethyl-5-fluoropyrimidin-4-yl)oxypyrrolidin-1-yl]methanone?
The canonical SMILES for (5-cyclopropyl-1,2-oxazol-3-yl)-[(3S)-3-(6-ethyl-5-fluoropyrimidin-4-yl)oxypyrrolidin-1-yl]methanone is CCc1ncnc(O[C@H]2CCN(C(=O)c3cc(C4CC4)on3)C2)c1F.
What is the InChIKey of (5-cyclopropyl-1,2-oxazol-3-yl)-[(3S)-3-(6-ethyl-5-fluoropyrimidin-4-yl)oxypyrrolidin-1-yl]methanone?
The InChIKey is GBTNXJHAYQEPKG-NSHDSACASA-N. The full InChI is InChI=1S/C17H19FN4O3/c1-2-12-15(18)16(20-9-19-12)24-11-5-6-22(8-11)17(23)13-7-14(25-21-13)10-3-4-10/h7,9-11H,2-6,8H2,1H3/t11-/m0/s1.
What are the key properties of (5-cyclopropyl-1,2-oxazol-3-yl)-[(3S)-3-(6-ethyl-5-fluoropyrimidin-4-yl)oxypyrrolidin-1-yl]methanone?
(5-cyclopropyl-1,2-oxazol-3-yl)-[(3S)-3-(6-ethyl-5-fluoropyrimidin-4-yl)oxypyrrolidin-1-yl]methanone has a molecular weight of 346.36 g/mol, XLogP of 2.34, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5-cyclopropyl-1,2-oxazol-3-yl)-[(3S)-3-(6-ethyl-5-fluoropyrimidin-4-yl)oxypyrrolidin-1-yl]methanone is sourced from PubChem (CID 124759510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).