1-tert-butyl-4-[[[5-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]-methylamino]methyl]pyrrolidin-2-one

C19H27N5O3 — CID 70780093

IUPAC1-tert-butyl-4-[[[5-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]-methylamino]methyl]pyrrolidin-2-one
SMILESCOCc1noc(-c2ccc(N(C)CC3CC(=O)N(C(C)(C)C)C3)nc2)n1
InChIInChI=1S/C19H27N5O3/c1-19(2,3)24-11-13(8-17(24)25)10-23(4)16-7-6-14(9-20-16)18-21-15(12-26-5)22-27-18/h6-7,9,13H,8,10-12H2,1-5H3
InChIKeyRBCAGABUONTAGQ-UHFFFAOYSA-N
MW373.46 g/mol
LogP2.36
Rot. Bonds6

About 1-tert-butyl-4-[[[5-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]-methylamino]methyl]pyrrolidin-2-one

1-tert-butyl-4-[[[5-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]-methylamino]methyl]pyrrolidin-2-one (PubChem CID 70780093) has the molecular formula C19H27N5O3 and a molecular weight of 373.46 g/mol. Its IUPAC name is 1-tert-butyl-4-[[[5-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]-methylamino]methyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-tert-butyl-4-[[[5-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]-methylamino]methyl]pyrrolidin-2-one
PubChem CID70780093
Molecular FormulaC19H27N5O3
Molecular Weight373.46 g/mol
Exact Mass373.21
IUPAC Name1-tert-butyl-4-[[[5-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]-methylamino]methyl]pyrrolidin-2-one
SMILESCOCc1noc(-c2ccc(N(C)CC3CC(=O)N(C(C)(C)C)C3)nc2)n1
InChIInChI=1S/C19H27N5O3/c1-19(2,3)24-11-13(8-17(24)25)10-23(4)16-7-6-14(9-20-16)18-21-15(12-26-5)22-27-18/h6-7,9,13H,8,10-12H2,1-5H3
InChIKeyRBCAGABUONTAGQ-UHFFFAOYSA-N
XLogP2.36
TPSA84.59 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.46
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-4-[[[5-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]-methylamino]methyl]pyrrolidin-2-one?
The IUPAC name of 1-tert-butyl-4-[[[5-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]-methylamino]methyl]pyrrolidin-2-one (CID 70780093) is 1-tert-butyl-4-[[[5-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]-methylamino]methyl]pyrrolidin-2-one.
What is the SMILES notation for 1-tert-butyl-4-[[[5-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]-methylamino]methyl]pyrrolidin-2-one?
The canonical SMILES for 1-tert-butyl-4-[[[5-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]-methylamino]methyl]pyrrolidin-2-one is COCc1noc(-c2ccc(N(C)CC3CC(=O)N(C(C)(C)C)C3)nc2)n1.
What is the InChIKey of 1-tert-butyl-4-[[[5-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]-methylamino]methyl]pyrrolidin-2-one?
The InChIKey is RBCAGABUONTAGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N5O3/c1-19(2,3)24-11-13(8-17(24)25)10-23(4)16-7-6-14(9-20-16)18-21-15(12-26-5)22-27-18/h6-7,9,13H,8,10-12H2,1-5H3.
What are the key properties of 1-tert-butyl-4-[[[5-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]-methylamino]methyl]pyrrolidin-2-one?
1-tert-butyl-4-[[[5-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]-methylamino]methyl]pyrrolidin-2-one has a molecular weight of 373.46 g/mol, XLogP of 2.36, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-4-[[[5-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]-methylamino]methyl]pyrrolidin-2-one is sourced from PubChem (CID 70780093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).