4,5-dimethyl-2-[[4-(1,3-oxazol-2-yl)piperidin-1-yl]methyl]-1,3-oxazole

C14H19N3O2 — CID 146139249

IUPAC4,5-dimethyl-2-[[4-(1,3-oxazol-2-yl)piperidin-1-yl]methyl]-1,3-oxazole
SMILESCc1nc(CN2CCC(c3ncco3)CC2)oc1C
InChIInChI=1S/C14H19N3O2/c1-10-11(2)19-13(16-10)9-17-6-3-12(4-7-17)14-15-5-8-18-14/h5,8,12H,3-4,6-7,9H2,1-2H3
InChIKeyVQEJCEGBYQRVHI-UHFFFAOYSA-N
MW261.32 g/mol
LogP2.66
Rot. Bonds3

About 4,5-dimethyl-2-[[4-(1,3-oxazol-2-yl)piperidin-1-yl]methyl]-1,3-oxazole

4,5-dimethyl-2-[[4-(1,3-oxazol-2-yl)piperidin-1-yl]methyl]-1,3-oxazole (PubChem CID 146139249) has the molecular formula C14H19N3O2 and a molecular weight of 261.32 g/mol. Its IUPAC name is 4,5-dimethyl-2-[[4-(1,3-oxazol-2-yl)piperidin-1-yl]methyl]-1,3-oxazole.

Molecular Properties

Compound Name4,5-dimethyl-2-[[4-(1,3-oxazol-2-yl)piperidin-1-yl]methyl]-1,3-oxazole
PubChem CID146139249
Molecular FormulaC14H19N3O2
Molecular Weight261.32 g/mol
Exact Mass261.15
IUPAC Name4,5-dimethyl-2-[[4-(1,3-oxazol-2-yl)piperidin-1-yl]methyl]-1,3-oxazole
SMILESCc1nc(CN2CCC(c3ncco3)CC2)oc1C
InChIInChI=1S/C14H19N3O2/c1-10-11(2)19-13(16-10)9-17-6-3-12(4-7-17)14-15-5-8-18-14/h5,8,12H,3-4,6-7,9H2,1-2H3
InChIKeyVQEJCEGBYQRVHI-UHFFFAOYSA-N
XLogP2.66
TPSA55.30 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4,5-dimethyl-2-[[4-(1,3-oxazol-2-yl)piperidin-1-yl]methyl]-1,3-oxazole?
The IUPAC name of 4,5-dimethyl-2-[[4-(1,3-oxazol-2-yl)piperidin-1-yl]methyl]-1,3-oxazole (CID 146139249) is 4,5-dimethyl-2-[[4-(1,3-oxazol-2-yl)piperidin-1-yl]methyl]-1,3-oxazole.
What is the SMILES notation for 4,5-dimethyl-2-[[4-(1,3-oxazol-2-yl)piperidin-1-yl]methyl]-1,3-oxazole?
The canonical SMILES for 4,5-dimethyl-2-[[4-(1,3-oxazol-2-yl)piperidin-1-yl]methyl]-1,3-oxazole is Cc1nc(CN2CCC(c3ncco3)CC2)oc1C.
What is the InChIKey of 4,5-dimethyl-2-[[4-(1,3-oxazol-2-yl)piperidin-1-yl]methyl]-1,3-oxazole?
The InChIKey is VQEJCEGBYQRVHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2/c1-10-11(2)19-13(16-10)9-17-6-3-12(4-7-17)14-15-5-8-18-14/h5,8,12H,3-4,6-7,9H2,1-2H3.
What are the key properties of 4,5-dimethyl-2-[[4-(1,3-oxazol-2-yl)piperidin-1-yl]methyl]-1,3-oxazole?
4,5-dimethyl-2-[[4-(1,3-oxazol-2-yl)piperidin-1-yl]methyl]-1,3-oxazole has a molecular weight of 261.32 g/mol, XLogP of 2.66, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethyl-2-[[4-(1,3-oxazol-2-yl)piperidin-1-yl]methyl]-1,3-oxazole is sourced from PubChem (CID 146139249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).