1-[2-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]ethyl]pyridin-2-one

C13H17N3O2 — CID 106372581

IUPAC1-[2-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]ethyl]pyridin-2-one
SMILESCc1nc(CNCCn2ccccc2=O)oc1C
InChIInChI=1S/C13H17N3O2/c1-10-11(2)18-12(15-10)9-14-6-8-16-7-4-3-5-13(16)17/h3-5,7,14H,6,8-9H2,1-2H3
InChIKeyXJKSGWKWEDQRGW-UHFFFAOYSA-N
MW247.30 g/mol
LogP1.24
Rot. Bonds5

About 1-[2-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]ethyl]pyridin-2-one

1-[2-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]ethyl]pyridin-2-one (PubChem CID 106372581) has the molecular formula C13H17N3O2 and a molecular weight of 247.30 g/mol. Its IUPAC name is 1-[2-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]ethyl]pyridin-2-one.

Molecular Properties

Compound Name1-[2-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]ethyl]pyridin-2-one
PubChem CID106372581
Molecular FormulaC13H17N3O2
Molecular Weight247.30 g/mol
Exact Mass247.13
IUPAC Name1-[2-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]ethyl]pyridin-2-one
SMILESCc1nc(CNCCn2ccccc2=O)oc1C
InChIInChI=1S/C13H17N3O2/c1-10-11(2)18-12(15-10)9-14-6-8-16-7-4-3-5-13(16)17/h3-5,7,14H,6,8-9H2,1-2H3
InChIKeyXJKSGWKWEDQRGW-UHFFFAOYSA-N
XLogP1.24
TPSA60.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]ethyl]pyridin-2-one?
The IUPAC name of 1-[2-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]ethyl]pyridin-2-one (CID 106372581) is 1-[2-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]ethyl]pyridin-2-one.
What is the SMILES notation for 1-[2-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]ethyl]pyridin-2-one?
The canonical SMILES for 1-[2-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]ethyl]pyridin-2-one is Cc1nc(CNCCn2ccccc2=O)oc1C.
What is the InChIKey of 1-[2-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]ethyl]pyridin-2-one?
The InChIKey is XJKSGWKWEDQRGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2/c1-10-11(2)18-12(15-10)9-14-6-8-16-7-4-3-5-13(16)17/h3-5,7,14H,6,8-9H2,1-2H3.
What are the key properties of 1-[2-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]ethyl]pyridin-2-one?
1-[2-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]ethyl]pyridin-2-one has a molecular weight of 247.30 g/mol, XLogP of 1.24, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]ethyl]pyridin-2-one is sourced from PubChem (CID 106372581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).