(2S)-2-amino-1-(3-naphthalen-1-yl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl)pentan-1-one

C21H23N3O2 — CID 56869264

IUPAC(2S)-2-amino-1-(3-naphthalen-1-yl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl)pentan-1-one
SMILESCCC[C@H](N)C(=O)N1CCc2onc(-c3cccc4ccccc34)c2C1
InChIInChI=1S/C21H23N3O2/c1-2-6-18(22)21(25)24-12-11-19-17(13-24)20(23-26-19)16-10-5-8-14-7-3-4-9-15(14)16/h3-5,7-10,18H,2,6,11-13,22H2,1H3/t18-/m0/s1
InChIKeyKOHCUMVLRGVOSQ-SFHVURJKSA-N
MW349.43 g/mol
LogP3.51
Rot. Bonds4

About (2S)-2-amino-1-(3-naphthalen-1-yl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl)pentan-1-one

(2S)-2-amino-1-(3-naphthalen-1-yl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl)pentan-1-one (PubChem CID 56869264) has the molecular formula C21H23N3O2 and a molecular weight of 349.43 g/mol. Its IUPAC name is (2S)-2-amino-1-(3-naphthalen-1-yl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl)pentan-1-one.

Molecular Properties

Compound Name(2S)-2-amino-1-(3-naphthalen-1-yl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl)pentan-1-one
PubChem CID56869264
Molecular FormulaC21H23N3O2
Molecular Weight349.43 g/mol
Exact Mass349.18
IUPAC Name(2S)-2-amino-1-(3-naphthalen-1-yl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl)pentan-1-one
SMILESCCC[C@H](N)C(=O)N1CCc2onc(-c3cccc4ccccc34)c2C1
InChIInChI=1S/C21H23N3O2/c1-2-6-18(22)21(25)24-12-11-19-17(13-24)20(23-26-19)16-10-5-8-14-7-3-4-9-15(14)16/h3-5,7-10,18H,2,6,11-13,22H2,1H3/t18-/m0/s1
InChIKeyKOHCUMVLRGVOSQ-SFHVURJKSA-N
XLogP3.51
TPSA72.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-1-(3-naphthalen-1-yl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl)pentan-1-one?
The IUPAC name of (2S)-2-amino-1-(3-naphthalen-1-yl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl)pentan-1-one (CID 56869264) is (2S)-2-amino-1-(3-naphthalen-1-yl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl)pentan-1-one.
What is the SMILES notation for (2S)-2-amino-1-(3-naphthalen-1-yl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl)pentan-1-one?
The canonical SMILES for (2S)-2-amino-1-(3-naphthalen-1-yl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl)pentan-1-one is CCC[C@H](N)C(=O)N1CCc2onc(-c3cccc4ccccc34)c2C1.
What is the InChIKey of (2S)-2-amino-1-(3-naphthalen-1-yl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl)pentan-1-one?
The InChIKey is KOHCUMVLRGVOSQ-SFHVURJKSA-N. The full InChI is InChI=1S/C21H23N3O2/c1-2-6-18(22)21(25)24-12-11-19-17(13-24)20(23-26-19)16-10-5-8-14-7-3-4-9-15(14)16/h3-5,7-10,18H,2,6,11-13,22H2,1H3/t18-/m0/s1.
What are the key properties of (2S)-2-amino-1-(3-naphthalen-1-yl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl)pentan-1-one?
(2S)-2-amino-1-(3-naphthalen-1-yl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl)pentan-1-one has a molecular weight of 349.43 g/mol, XLogP of 3.51, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-1-(3-naphthalen-1-yl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl)pentan-1-one is sourced from PubChem (CID 56869264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).