[2-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-pyridinyl]pyrrolidin-1-yl]-pyrimidin-4-ylmethanone

C19H19N5O2 — CID 110135478

IUPAC[2-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-pyridinyl]pyrrolidin-1-yl]-pyrimidin-4-ylmethanone
SMILESCc1noc(C)c1-c1ccc(C2CCCN2C(=O)c2ccncn2)nc1
InChIInChI=1S/C19H19N5O2/c1-12-18(13(2)26-23-12)14-5-6-15(21-10-14)17-4-3-9-24(17)19(25)16-7-8-20-11-22-16/h5-8,10-11,17H,3-4,9H2,1-2H3
InChIKeyVDNDVHAYRFDXIG-UHFFFAOYSA-N
MW349.39 g/mol
LogP3.12
Rot. Bonds3

About [2-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-pyridinyl]pyrrolidin-1-yl]-pyrimidin-4-ylmethanone

[2-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-pyridinyl]pyrrolidin-1-yl]-pyrimidin-4-ylmethanone (PubChem CID 110135478) has the molecular formula C19H19N5O2 and a molecular weight of 349.39 g/mol. Its IUPAC name is [2-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-pyridinyl]pyrrolidin-1-yl]-pyrimidin-4-ylmethanone.

Molecular Properties

Compound Name[2-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-pyridinyl]pyrrolidin-1-yl]-pyrimidin-4-ylmethanone
PubChem CID110135478
Molecular FormulaC19H19N5O2
Molecular Weight349.39 g/mol
Exact Mass349.15
IUPAC Name[2-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-pyridinyl]pyrrolidin-1-yl]-pyrimidin-4-ylmethanone
SMILESCc1noc(C)c1-c1ccc(C2CCCN2C(=O)c2ccncn2)nc1
InChIInChI=1S/C19H19N5O2/c1-12-18(13(2)26-23-12)14-5-6-15(21-10-14)17-4-3-9-24(17)19(25)16-7-8-20-11-22-16/h5-8,10-11,17H,3-4,9H2,1-2H3
InChIKeyVDNDVHAYRFDXIG-UHFFFAOYSA-N
XLogP3.12
TPSA85.01 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.39
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [2-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-pyridinyl]pyrrolidin-1-yl]-pyrimidin-4-ylmethanone?
The IUPAC name of [2-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-pyridinyl]pyrrolidin-1-yl]-pyrimidin-4-ylmethanone (CID 110135478) is [2-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-pyridinyl]pyrrolidin-1-yl]-pyrimidin-4-ylmethanone.
What is the SMILES notation for [2-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-pyridinyl]pyrrolidin-1-yl]-pyrimidin-4-ylmethanone?
The canonical SMILES for [2-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-pyridinyl]pyrrolidin-1-yl]-pyrimidin-4-ylmethanone is Cc1noc(C)c1-c1ccc(C2CCCN2C(=O)c2ccncn2)nc1.
What is the InChIKey of [2-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-pyridinyl]pyrrolidin-1-yl]-pyrimidin-4-ylmethanone?
The InChIKey is VDNDVHAYRFDXIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5O2/c1-12-18(13(2)26-23-12)14-5-6-15(21-10-14)17-4-3-9-24(17)19(25)16-7-8-20-11-22-16/h5-8,10-11,17H,3-4,9H2,1-2H3.
What are the key properties of [2-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-pyridinyl]pyrrolidin-1-yl]-pyrimidin-4-ylmethanone?
[2-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-pyridinyl]pyrrolidin-1-yl]-pyrimidin-4-ylmethanone has a molecular weight of 349.39 g/mol, XLogP of 3.12, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-pyridinyl]pyrrolidin-1-yl]-pyrimidin-4-ylmethanone is sourced from PubChem (CID 110135478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).