4-methyl-1-[[3-[(1S)-1-(2-methylpropoxy)ethyl]-1,2,4-oxadiazol-5-yl]methyl]pyridin-2-one

C15H21N3O3 — CID 95904230

IUPAC4-methyl-1-[[3-[(1S)-1-(2-methylpropoxy)ethyl]-1,2,4-oxadiazol-5-yl]methyl]pyridin-2-one
SMILESCc1ccn(Cc2nc([C@H](C)OCC(C)C)no2)c(=O)c1
InChIInChI=1S/C15H21N3O3/c1-10(2)9-20-12(4)15-16-13(21-17-15)8-18-6-5-11(3)7-14(18)19/h5-7,10,12H,8-9H2,1-4H3/t12-/m0/s1
InChIKeyDZFBNZKFIBHQCK-LBPRGKRZSA-N
MW291.35 g/mol
LogP2.32
Rot. Bonds6

About 4-methyl-1-[[3-[(1S)-1-(2-methylpropoxy)ethyl]-1,2,4-oxadiazol-5-yl]methyl]pyridin-2-one

4-methyl-1-[[3-[(1S)-1-(2-methylpropoxy)ethyl]-1,2,4-oxadiazol-5-yl]methyl]pyridin-2-one (PubChem CID 95904230) has the molecular formula C15H21N3O3 and a molecular weight of 291.35 g/mol. Its IUPAC name is 4-methyl-1-[[3-[(1S)-1-(2-methylpropoxy)ethyl]-1,2,4-oxadiazol-5-yl]methyl]pyridin-2-one.

Molecular Properties

Compound Name4-methyl-1-[[3-[(1S)-1-(2-methylpropoxy)ethyl]-1,2,4-oxadiazol-5-yl]methyl]pyridin-2-one
PubChem CID95904230
Molecular FormulaC15H21N3O3
Molecular Weight291.35 g/mol
Exact Mass291.16
IUPAC Name4-methyl-1-[[3-[(1S)-1-(2-methylpropoxy)ethyl]-1,2,4-oxadiazol-5-yl]methyl]pyridin-2-one
SMILESCc1ccn(Cc2nc([C@H](C)OCC(C)C)no2)c(=O)c1
InChIInChI=1S/C15H21N3O3/c1-10(2)9-20-12(4)15-16-13(21-17-15)8-18-6-5-11(3)7-14(18)19/h5-7,10,12H,8-9H2,1-4H3/t12-/m0/s1
InChIKeyDZFBNZKFIBHQCK-LBPRGKRZSA-N
XLogP2.32
TPSA70.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-[[3-[(1S)-1-(2-methylpropoxy)ethyl]-1,2,4-oxadiazol-5-yl]methyl]pyridin-2-one?
The IUPAC name of 4-methyl-1-[[3-[(1S)-1-(2-methylpropoxy)ethyl]-1,2,4-oxadiazol-5-yl]methyl]pyridin-2-one (CID 95904230) is 4-methyl-1-[[3-[(1S)-1-(2-methylpropoxy)ethyl]-1,2,4-oxadiazol-5-yl]methyl]pyridin-2-one.
What is the SMILES notation for 4-methyl-1-[[3-[(1S)-1-(2-methylpropoxy)ethyl]-1,2,4-oxadiazol-5-yl]methyl]pyridin-2-one?
The canonical SMILES for 4-methyl-1-[[3-[(1S)-1-(2-methylpropoxy)ethyl]-1,2,4-oxadiazol-5-yl]methyl]pyridin-2-one is Cc1ccn(Cc2nc([C@H](C)OCC(C)C)no2)c(=O)c1.
What is the InChIKey of 4-methyl-1-[[3-[(1S)-1-(2-methylpropoxy)ethyl]-1,2,4-oxadiazol-5-yl]methyl]pyridin-2-one?
The InChIKey is DZFBNZKFIBHQCK-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H21N3O3/c1-10(2)9-20-12(4)15-16-13(21-17-15)8-18-6-5-11(3)7-14(18)19/h5-7,10,12H,8-9H2,1-4H3/t12-/m0/s1.
What are the key properties of 4-methyl-1-[[3-[(1S)-1-(2-methylpropoxy)ethyl]-1,2,4-oxadiazol-5-yl]methyl]pyridin-2-one?
4-methyl-1-[[3-[(1S)-1-(2-methylpropoxy)ethyl]-1,2,4-oxadiazol-5-yl]methyl]pyridin-2-one has a molecular weight of 291.35 g/mol, XLogP of 2.32, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-[[3-[(1S)-1-(2-methylpropoxy)ethyl]-1,2,4-oxadiazol-5-yl]methyl]pyridin-2-one is sourced from PubChem (CID 95904230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).