(5-pyridin-3-yl-1,2-oxazol-3-yl)-(4-pyrimidin-4-yloxypiperidin-1-yl)methanone

C18H17N5O3 — CID 121162062

IUPAC(5-pyridin-3-yl-1,2-oxazol-3-yl)-(4-pyrimidin-4-yloxypiperidin-1-yl)methanone
SMILESO=C(c1cc(-c2cccnc2)on1)N1CCC(Oc2ccncn2)CC1
InChIInChI=1S/C18H17N5O3/c24-18(15-10-16(26-22-15)13-2-1-6-19-11-13)23-8-4-14(5-9-23)25-17-3-7-20-12-21-17/h1-3,6-7,10-12,14H,4-5,8-9H2
InChIKeyIRVGZNSSFHTFOH-UHFFFAOYSA-N
MW351.37 g/mol
LogP2.21
Rot. Bonds4

About (5-pyridin-3-yl-1,2-oxazol-3-yl)-(4-pyrimidin-4-yloxypiperidin-1-yl)methanone

(5-pyridin-3-yl-1,2-oxazol-3-yl)-(4-pyrimidin-4-yloxypiperidin-1-yl)methanone (PubChem CID 121162062) has the molecular formula C18H17N5O3 and a molecular weight of 351.37 g/mol. Its IUPAC name is (5-pyridin-3-yl-1,2-oxazol-3-yl)-(4-pyrimidin-4-yloxypiperidin-1-yl)methanone.

Molecular Properties

Compound Name(5-pyridin-3-yl-1,2-oxazol-3-yl)-(4-pyrimidin-4-yloxypiperidin-1-yl)methanone
PubChem CID121162062
Molecular FormulaC18H17N5O3
Molecular Weight351.37 g/mol
Exact Mass351.13
IUPAC Name(5-pyridin-3-yl-1,2-oxazol-3-yl)-(4-pyrimidin-4-yloxypiperidin-1-yl)methanone
SMILESO=C(c1cc(-c2cccnc2)on1)N1CCC(Oc2ccncn2)CC1
InChIInChI=1S/C18H17N5O3/c24-18(15-10-16(26-22-15)13-2-1-6-19-11-13)23-8-4-14(5-9-23)25-17-3-7-20-12-21-17/h1-3,6-7,10-12,14H,4-5,8-9H2
InChIKeyIRVGZNSSFHTFOH-UHFFFAOYSA-N
XLogP2.21
TPSA94.24 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.37
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (5-pyridin-3-yl-1,2-oxazol-3-yl)-(4-pyrimidin-4-yloxypiperidin-1-yl)methanone?
The IUPAC name of (5-pyridin-3-yl-1,2-oxazol-3-yl)-(4-pyrimidin-4-yloxypiperidin-1-yl)methanone (CID 121162062) is (5-pyridin-3-yl-1,2-oxazol-3-yl)-(4-pyrimidin-4-yloxypiperidin-1-yl)methanone.
What is the SMILES notation for (5-pyridin-3-yl-1,2-oxazol-3-yl)-(4-pyrimidin-4-yloxypiperidin-1-yl)methanone?
The canonical SMILES for (5-pyridin-3-yl-1,2-oxazol-3-yl)-(4-pyrimidin-4-yloxypiperidin-1-yl)methanone is O=C(c1cc(-c2cccnc2)on1)N1CCC(Oc2ccncn2)CC1.
What is the InChIKey of (5-pyridin-3-yl-1,2-oxazol-3-yl)-(4-pyrimidin-4-yloxypiperidin-1-yl)methanone?
The InChIKey is IRVGZNSSFHTFOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N5O3/c24-18(15-10-16(26-22-15)13-2-1-6-19-11-13)23-8-4-14(5-9-23)25-17-3-7-20-12-21-17/h1-3,6-7,10-12,14H,4-5,8-9H2.
What are the key properties of (5-pyridin-3-yl-1,2-oxazol-3-yl)-(4-pyrimidin-4-yloxypiperidin-1-yl)methanone?
(5-pyridin-3-yl-1,2-oxazol-3-yl)-(4-pyrimidin-4-yloxypiperidin-1-yl)methanone has a molecular weight of 351.37 g/mol, XLogP of 2.21, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (5-pyridin-3-yl-1,2-oxazol-3-yl)-(4-pyrimidin-4-yloxypiperidin-1-yl)methanone is sourced from PubChem (CID 121162062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).