(5R)-5-[2-[2-(3-methylbutyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]-2-oxoethyl]pyrrolidin-2-one

C17H25N3O3 — CID 170505726

IUPAC(5R)-5-[2-[2-(3-methylbutyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]-2-oxoethyl]pyrrolidin-2-one
SMILESCC(C)CCc1nc2c(o1)CCN(C(=O)C[C@H]1CCC(=O)N1)C2
InChIInChI=1S/C17H25N3O3/c1-11(2)3-6-16-19-13-10-20(8-7-14(13)23-16)17(22)9-12-4-5-15(21)18-12/h11-12H,3-10H2,1-2H3,(H,18,21)/t12-/m1/s1
InChIKeyFBVBYJISSNOHBZ-GFCCVEGCSA-N
MW319.41 g/mol
LogP1.82
Rot. Bonds5

About (5R)-5-[2-[2-(3-methylbutyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]-2-oxoethyl]pyrrolidin-2-one

(5R)-5-[2-[2-(3-methylbutyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]-2-oxoethyl]pyrrolidin-2-one (PubChem CID 170505726) has the molecular formula C17H25N3O3 and a molecular weight of 319.41 g/mol. Its IUPAC name is (5R)-5-[2-[2-(3-methylbutyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]-2-oxoethyl]pyrrolidin-2-one.

Molecular Properties

Compound Name(5R)-5-[2-[2-(3-methylbutyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]-2-oxoethyl]pyrrolidin-2-one
PubChem CID170505726
Molecular FormulaC17H25N3O3
Molecular Weight319.41 g/mol
Exact Mass319.19
IUPAC Name(5R)-5-[2-[2-(3-methylbutyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]-2-oxoethyl]pyrrolidin-2-one
SMILESCC(C)CCc1nc2c(o1)CCN(C(=O)C[C@H]1CCC(=O)N1)C2
InChIInChI=1S/C17H25N3O3/c1-11(2)3-6-16-19-13-10-20(8-7-14(13)23-16)17(22)9-12-4-5-15(21)18-12/h11-12H,3-10H2,1-2H3,(H,18,21)/t12-/m1/s1
InChIKeyFBVBYJISSNOHBZ-GFCCVEGCSA-N
XLogP1.82
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.41
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (5R)-5-[2-[2-(3-methylbutyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]-2-oxoethyl]pyrrolidin-2-one?
The IUPAC name of (5R)-5-[2-[2-(3-methylbutyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]-2-oxoethyl]pyrrolidin-2-one (CID 170505726) is (5R)-5-[2-[2-(3-methylbutyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]-2-oxoethyl]pyrrolidin-2-one.
What is the SMILES notation for (5R)-5-[2-[2-(3-methylbutyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]-2-oxoethyl]pyrrolidin-2-one?
The canonical SMILES for (5R)-5-[2-[2-(3-methylbutyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]-2-oxoethyl]pyrrolidin-2-one is CC(C)CCc1nc2c(o1)CCN(C(=O)C[C@H]1CCC(=O)N1)C2.
What is the InChIKey of (5R)-5-[2-[2-(3-methylbutyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]-2-oxoethyl]pyrrolidin-2-one?
The InChIKey is FBVBYJISSNOHBZ-GFCCVEGCSA-N. The full InChI is InChI=1S/C17H25N3O3/c1-11(2)3-6-16-19-13-10-20(8-7-14(13)23-16)17(22)9-12-4-5-15(21)18-12/h11-12H,3-10H2,1-2H3,(H,18,21)/t12-/m1/s1.
What are the key properties of (5R)-5-[2-[2-(3-methylbutyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]-2-oxoethyl]pyrrolidin-2-one?
(5R)-5-[2-[2-(3-methylbutyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]-2-oxoethyl]pyrrolidin-2-one has a molecular weight of 319.41 g/mol, XLogP of 1.82, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-[2-[2-(3-methylbutyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]-2-oxoethyl]pyrrolidin-2-one is sourced from PubChem (CID 170505726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).