[3-(4-methylpyrimidin-2-yl)pyrrolidin-1-yl]-(1,3-oxazol-5-yl)methanone

C13H14N4O2 — CID 110103694

IUPAC[3-(4-methylpyrimidin-2-yl)pyrrolidin-1-yl]-(1,3-oxazol-5-yl)methanone
SMILESCc1ccnc(C2CCN(C(=O)c3cnco3)C2)n1
InChIInChI=1S/C13H14N4O2/c1-9-2-4-15-12(16-9)10-3-5-17(7-10)13(18)11-6-14-8-19-11/h2,4,6,8,10H,3,5,7H2,1H3
InChIKeyXCLKLBFFBKEUJD-UHFFFAOYSA-N
MW258.28 g/mol
LogP1.40
Rot. Bonds2

About [3-(4-methylpyrimidin-2-yl)pyrrolidin-1-yl]-(1,3-oxazol-5-yl)methanone

[3-(4-methylpyrimidin-2-yl)pyrrolidin-1-yl]-(1,3-oxazol-5-yl)methanone (PubChem CID 110103694) has the molecular formula C13H14N4O2 and a molecular weight of 258.28 g/mol. Its IUPAC name is [3-(4-methylpyrimidin-2-yl)pyrrolidin-1-yl]-(1,3-oxazol-5-yl)methanone.

Molecular Properties

Compound Name[3-(4-methylpyrimidin-2-yl)pyrrolidin-1-yl]-(1,3-oxazol-5-yl)methanone
PubChem CID110103694
Molecular FormulaC13H14N4O2
Molecular Weight258.28 g/mol
Exact Mass258.11
IUPAC Name[3-(4-methylpyrimidin-2-yl)pyrrolidin-1-yl]-(1,3-oxazol-5-yl)methanone
SMILESCc1ccnc(C2CCN(C(=O)c3cnco3)C2)n1
InChIInChI=1S/C13H14N4O2/c1-9-2-4-15-12(16-9)10-3-5-17(7-10)13(18)11-6-14-8-19-11/h2,4,6,8,10H,3,5,7H2,1H3
InChIKeyXCLKLBFFBKEUJD-UHFFFAOYSA-N
XLogP1.40
TPSA72.12 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.28
LogP ≤ 51.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [3-(4-methylpyrimidin-2-yl)pyrrolidin-1-yl]-(1,3-oxazol-5-yl)methanone?
The IUPAC name of [3-(4-methylpyrimidin-2-yl)pyrrolidin-1-yl]-(1,3-oxazol-5-yl)methanone (CID 110103694) is [3-(4-methylpyrimidin-2-yl)pyrrolidin-1-yl]-(1,3-oxazol-5-yl)methanone.
What is the SMILES notation for [3-(4-methylpyrimidin-2-yl)pyrrolidin-1-yl]-(1,3-oxazol-5-yl)methanone?
The canonical SMILES for [3-(4-methylpyrimidin-2-yl)pyrrolidin-1-yl]-(1,3-oxazol-5-yl)methanone is Cc1ccnc(C2CCN(C(=O)c3cnco3)C2)n1.
What is the InChIKey of [3-(4-methylpyrimidin-2-yl)pyrrolidin-1-yl]-(1,3-oxazol-5-yl)methanone?
The InChIKey is XCLKLBFFBKEUJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O2/c1-9-2-4-15-12(16-9)10-3-5-17(7-10)13(18)11-6-14-8-19-11/h2,4,6,8,10H,3,5,7H2,1H3.
What are the key properties of [3-(4-methylpyrimidin-2-yl)pyrrolidin-1-yl]-(1,3-oxazol-5-yl)methanone?
[3-(4-methylpyrimidin-2-yl)pyrrolidin-1-yl]-(1,3-oxazol-5-yl)methanone has a molecular weight of 258.28 g/mol, XLogP of 1.40, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-methylpyrimidin-2-yl)pyrrolidin-1-yl]-(1,3-oxazol-5-yl)methanone is sourced from PubChem (CID 110103694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).