[5-[(6-methyl-3-pyridinyl)oxymethyl]-1,2-oxazol-3-yl]-pyrrolidin-1-ylmethanone

C15H17N3O3 — CID 24818998

IUPAC[5-[(6-methyl-3-pyridinyl)oxymethyl]-1,2-oxazol-3-yl]-pyrrolidin-1-ylmethanone
SMILESCc1ccc(OCc2cc(C(=O)N3CCCC3)no2)cn1
InChIInChI=1S/C15H17N3O3/c1-11-4-5-12(9-16-11)20-10-13-8-14(17-21-13)15(19)18-6-2-3-7-18/h4-5,8-9H,2-3,6-7,10H2,1H3
InChIKeySAJWDMXBNUGUAD-UHFFFAOYSA-N
MW287.32 g/mol
LogP2.19
Rot. Bonds4

About [5-[(6-methyl-3-pyridinyl)oxymethyl]-1,2-oxazol-3-yl]-pyrrolidin-1-ylmethanone

[5-[(6-methyl-3-pyridinyl)oxymethyl]-1,2-oxazol-3-yl]-pyrrolidin-1-ylmethanone (PubChem CID 24818998) has the molecular formula C15H17N3O3 and a molecular weight of 287.32 g/mol. Its IUPAC name is [5-[(6-methyl-3-pyridinyl)oxymethyl]-1,2-oxazol-3-yl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[5-[(6-methyl-3-pyridinyl)oxymethyl]-1,2-oxazol-3-yl]-pyrrolidin-1-ylmethanone
PubChem CID24818998
Molecular FormulaC15H17N3O3
Molecular Weight287.32 g/mol
Exact Mass287.13
IUPAC Name[5-[(6-methyl-3-pyridinyl)oxymethyl]-1,2-oxazol-3-yl]-pyrrolidin-1-ylmethanone
SMILESCc1ccc(OCc2cc(C(=O)N3CCCC3)no2)cn1
InChIInChI=1S/C15H17N3O3/c1-11-4-5-12(9-16-11)20-10-13-8-14(17-21-13)15(19)18-6-2-3-7-18/h4-5,8-9H,2-3,6-7,10H2,1H3
InChIKeySAJWDMXBNUGUAD-UHFFFAOYSA-N
XLogP2.19
TPSA68.46 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [5-[(6-methyl-3-pyridinyl)oxymethyl]-1,2-oxazol-3-yl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [5-[(6-methyl-3-pyridinyl)oxymethyl]-1,2-oxazol-3-yl]-pyrrolidin-1-ylmethanone (CID 24818998) is [5-[(6-methyl-3-pyridinyl)oxymethyl]-1,2-oxazol-3-yl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [5-[(6-methyl-3-pyridinyl)oxymethyl]-1,2-oxazol-3-yl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [5-[(6-methyl-3-pyridinyl)oxymethyl]-1,2-oxazol-3-yl]-pyrrolidin-1-ylmethanone is Cc1ccc(OCc2cc(C(=O)N3CCCC3)no2)cn1.
What is the InChIKey of [5-[(6-methyl-3-pyridinyl)oxymethyl]-1,2-oxazol-3-yl]-pyrrolidin-1-ylmethanone?
The InChIKey is SAJWDMXBNUGUAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O3/c1-11-4-5-12(9-16-11)20-10-13-8-14(17-21-13)15(19)18-6-2-3-7-18/h4-5,8-9H,2-3,6-7,10H2,1H3.
What are the key properties of [5-[(6-methyl-3-pyridinyl)oxymethyl]-1,2-oxazol-3-yl]-pyrrolidin-1-ylmethanone?
[5-[(6-methyl-3-pyridinyl)oxymethyl]-1,2-oxazol-3-yl]-pyrrolidin-1-ylmethanone has a molecular weight of 287.32 g/mol, XLogP of 2.19, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[(6-methyl-3-pyridinyl)oxymethyl]-1,2-oxazol-3-yl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 24818998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).